Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

1',3',4',5',7',8'-Hexafluoro-1,1'',2,2'',3,3'',4,4''-octa-phenyl-2',6'-dihydro-dispiro-[cyclo-penta-1,3-diene-5,2'-naphthalene-6',5''-cyclo-penta-1'',3''-diene] dichloro-methane monosolvate.

ABSTRACT: The mol-ecule of the title compound, C(66)H(40)F(6)·CH(2)Cl(2), is centrosymmetric; the dihedral angle between the central fluorinated unit and the cyclo-penta-diene ring is 88.36?(7)°. The dihedral angles between the cyclo-penta-diene ring and the four surrounding phenyl rings are in the range 26.6?(1)-65.6?(1)°. Centrosymmetric cavities in the crystal structure are populated by disordered dichloro-methane solvent mol-ecules.

SUBMITTER: Li S

PROVIDER: S-EPMC3213637 | biostudies-literature | 2011 Aug

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

1',3',4',5',7',8'-Hexafluoro-1,1'',2,2'',3,3'',4,4''-octa-phenyl-2',6'-dihydro-dispiro-[cyclo-penta-1,3-diene-5,2'-naphthalene-6',5''-cyclo-penta-1'',3''-diene] dichloro-methane monosolvate.

Li Shuhong S

Acta crystallographica. Section E, Structure reports online 20110730 Pt 8

The mol-ecule of the title compound, C(66)H(40)F(6)·CH(2)Cl(2), is centrosymmetric; the dihedral angle between the central fluorinated unit and the cyclo-penta-diene ring is 88.36 (7)°. The dihedral angles between the cyclo-penta-diene ring and the four surrounding phenyl rings are in the range 26.6 (1)-65.6 (1)°. Centrosymmetric cavities in the crystal structure are populated by disordered dichloro-methane solvent mol-ecules. ...[more]

PMID: 22091214

Similar Datasets

syn-Dispiro-[1,3-dioxolane-2,17'-penta-cyclo-[12.2.1.1.0.0]octa-decane-18',2''-[1,3]dioxolane]-7',15'-diene.

Project description:The title compound, C(22)H(28)O(4), is composed of a central octa-decane ring and two spiro-[bicyclo-[2.2.1]hept[2]ene-7,2'-[1,3]dioxolane] units. This polycycle has pseudo twofold symmetry and the central cyclo-octane ring has a distorted boat configuration.

| S-EPMC3009060 | biostudies-literature

Bis(acetonitrile-?N)dichlorido(?-cyclo-octa-1,5-diene)ruthenium(II) acetonitrile monosolvate.

Project description:In the title Ru(II) complex, [RuCl(2)(C(8)H(12))(C(2)H(3)N)(2)]·CH(3)CN, the metal ion is coordinated to the centers of each of the double bonds of the cyclo-octa-diene ligand, to two chloride ions (in cis positions) and to two N-atom donors (from MeCN mol-ecules) that complete the coordination sphere for the neutral complex. The coordination about the Ru(II) atom can thus be considered to be octa-hedral with a slightly trigonal distortion. There is also one acetonitrile solvent mol-ecule per mol-ecule which is outside the coordination sphere of the ruthenium atom.

| S-EPMC3212168 | biostudies-literature

anti-1',6',7',8',9',14',15',16'-Octa-chloro-dispiro-[1,3-dioxolane-2,17'-penta-cyclo-[12.2.1.1.0.0]octa-decane-18',2''-1,3-dioxolane]-7',15'-diene.

Project description:The title compound, C(22)H(20)Cl(8)O(4), was prepared as part of the synthesis of precursors for the preparation of fluorinated mol-ecular tweezers. The mol-ecule sits on an inversion center, thus requiring that the cyclo-octane ring adopt a chair conformation.

| S-EPMC3007477 | biostudies-literature

Crystal structure of (?4-cyclo-octa-diene)(3,3'-dimesityl-1,1'-methyl-enediimidazoline-2,2'-diyl-idene)nickel(0) tetra-hydro-furan monosolvate.

Project description:The crystal structure of the title compound, [Ni(C25H28N4)(C8H12)]·C4H8O or (MesNHC2Me)Ni(COD), which contains a bidentate N-heterocyclic carbene (NHC) ligand with mesityl aryl groups is reported. The complex at 100?K has monoclinic (P21/c) symmetry and a distorted tetra-hedral geometry around the nickel center, with the cyclo-octa-diene ligand coordinated in a ?2,?2 fashion. The bidentate NHC ligand is not planar, with a C(carbene)-Ni-C(carbene) angle of 91.51?(12)°, resulting in the mesityl groups being on the same side of the cyclo-octa-diene (COD) ligand. One mol-ecule of tetra-hydro-furan (THF) is co-crystallized with the nickel complex and has positional disorder.

| S-EPMC6176447 | biostudies-literature

Dibenzo[a,e]penta-cyclo-[12.2.1.1.0.0]octa-deca-2(13),5(10)-diene.

Project description:In the title compound, C(26)H(24), the central cyclo-octa-tetra-ene ring has a boat conformation, and the mol-ecule is saddle shaped. The seat is defined by the mean plane of the four-atom attachment points (r.m.s. deviation = 0.014 Å) of the two bicyclo-heptane substituents. These substituents comprise the pommel and cantle, with each mean plane defined by four atoms proximate to the seat (r.m.s. deviations = 0.001 and 0.000 Å). Relative to the seat, the pommel and cantle bend up 33.36 (5) and 34.22 (4)°, while the benzo units (flaps, r.m.s. deviations = 0.008 and 0.013 Å) bend down 33.48 (4) and 36.58 (4)°.

| S-EPMC3238874 | biostudies-literature

Penta-cyclo-[9.3.1.1(2,6).1(4,8).1(9,13)]octa-deca-1(2),8(9)-diene.

Project description:The title compound, C(18)H(24), was the main product of thermolysis of noradamantene dimer (hepta-cyclo-[9.3.1.1(2,6).1(4,8).1(9,13).0(1,9).0(2,8)]octa-deca-ne). The crystal structure was determined to prove that the thermolysis product of noradamantene dimer is favored by stretch release due to ring opening of the four-membered ring. The bond length of the quaternary C atoms of the starting material was calculated as 1.6 Å, enlarged in comparison to other single bonds. After the rearrangement, the stretch release of the above carbons leads to an increase of the distance between them (2.824 Å) with respect to the crystallographic data.

| S-EPMC3393958 | biostudies-literature

(η-Cyclo-octa-1,5-diene)diiodidoplatinum(II).

Project description:The monoclinic title complex, [PtI(2)(C(8)H(12))], characterized by a twisted cyclo-octa-diene ring, is similar to its Cl and Br ortho-rhom-bic homologues. The observed Pt-I bond distances of 2.6094 (5) and 2.6130 (5) Å are in the expected range for PtI(2) complexes. The C=C double bonds in the mol-ecule differ significantly [1.373 (10) and 1.403 (10) Å]. As expected for a platinum(II) complex, the Pt(II) atom is in a square-planar environment (ΣPt(α)= 359.71°).

| S-EPMC2970000 | biostudies-literature

Chlorido(?-1,5-cyclo-octa-diene)[(penta-fluoro-eth-yl)diphenyl-phosphane]iridium(I).

Project description:The title structure,[IrCl(C(8)H(12))(C(14)H(10)F(5)P)], reveals that (C(2)F(5))PPh(2) (penta-fluoro-ethyl-diphenyl-phosphane or pfepp) disrupts the iridium dimer [(cod)IrCl](2) (cod = cyclo-octa-1,5-diene) by rupturing the bridging chloride ligands and binding in the open coordination site to form (cod)Ir(pfepp)Cl with the Ir(I) atom in a distorted square-planar coordination environment. The structure deviates very little from the Ir(I)-triphenyl-phosphine analog, although a significantly (?20?) shorter Ir-P bond is noted for the title compound.

| S-EPMC3050217 | biostudies-other

(1R,2R,5R,6R,9S,10S,13S,14S)-1,6,7,8,9,14,15,16,17,17-Decachloro-penta-cyclo-[12.2.1.1.0.0]octa-deca-7,15-diene.

Project description:The title compound, C(18)H(14)Cl(10), is a decachlorinated commercial flame retardant. The structure determination confirms the relative stereochemistry. The central eight-membered ring is in a chair-type conformation. In the crystal structure, there are no significant inter-molecular inter-actions and mol-ecules are separated by normal van der Waals distances.

| S-EPMC2961698 | biostudies-literature

(E)-3,3',4,4',7,7',8,8'-Octa-methyl-2H,2'H-1,1'-bi(cyclo-penta-[fg]acenaphthyl-enyl-idene)-2,2',5,5',6,6'-hexa-one dichloro-methane monosolvate.

Project description:The title compound, C(36)H(24)O(6)·CH(2)Cl(2), is a dimer of two essentially planar (r.m.s., deviations of fitted plane of 14 pyracene C atoms = 0.0539 and 0.0543 Å) tetra-cyclic pyracene frameworks (each with four methyl groups and three carbonyl groups on the peripheral carbon atoms) twisted along a central C=C bond with an angle of 50.78 (3)° at 90 K. There are notably long Csp(2)-Csp(2) bonds associated with the carbonyl groups, the longest being 1.601 (3) Å between two carbonyl C atoms. There are also intermolecular carbonyl⋯carbonyl interactions of both parallel and antiparallel types, with C⋯O distances in the range 3.041 (3) to 3.431 (2) Å. This compound is of inter-est with respect to the synthesis of fullerene fragments, such as corannulene and semibuckminsterfullerene derivatives (or 'buckybowls'), and is a side product of the previously reported oxidation reaction. Structural details, such as planarity analysis of fused rings, out-of-plane deviation of substituents, inter-molecular inter-actions, and longer than typical bond lengths, will be discussed as well as comparisons to structurally related compounds.

| S-EPMC3344573 | biostudies-literature

OmicsDI is part of the ELIXIR infrastructure

OmicsDI is an Elixir interoperability service. Learn more ›

Tweets

OmicsDI Databases

PRIDE
PeptideAtlas
MassIVE
JPOST Repository
Physiome Model Repository

EGA
EVA
ENA
LINCS
PAXDB
Cell Collective

MetaboLights
Metabolomics Workbench
MetabolomeExpress
GNPS
BioModels
FAIRDOMHub

ArrayExpress
dbGaP
ExpressionAtlas
GEO
NODE

Information

Databases
Help
API
Contact us
Code on GitHub
Terms of use
Submit Data