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(5SR,10SR,15SR)-Trimethyl 5H,10H,15H-diindeno-[1,2-a:1',2'-c]fluorene-5,10,15-tricarboxyl-ate 0.167-hydrate.

ABSTRACT: The title compound, C(33)H(24)O(6)·0.17H(2)O, which is commonly known as (SR,SR,SR)-trimethyl 1,10,19-truxentricarboxyl-ate, crystallizes as a hydrate with the water mol-ecule encapsulated between three ester groups by O-H?O hydrogen bonding to two of them. The water mol-ecule site is not fully occupied in the crystal studied, with a refined site occupancy of 0.167?(5). The 27-atom ring system is approximately planar, with a maximum deviation of 0.148?(1)?Å, and the three ester substituents are all on the same side of this plane.

SUBMITTER: Menard MC

PROVIDER: S-EPMC3050226 | biostudies-other | 2010

REPOSITORIES: biostudies-other

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(5SR,10SR,15SR)-Trimethyl 5H,10H,15H-diindeno-[1,2-a:1',2'-c]fluorene-5,10,15-tricarboxyl-ate 0.167-hydrate.

Menard Melissa C MC Fronczek Frank R FR Watkins Steven F SF Dhar Raj K RK

Acta crystallographica. Section E, Structure reports online 20101204 Pt 1

The title compound, C(33)H(24)O(6)·0.17H(2)O, which is commonly known as (SR,SR,SR)-trimethyl 1,10,19-truxentricarboxyl-ate, crystallizes as a hydrate with the water mol-ecule encapsulated between three ester groups by O-H⋯O hydrogen bonding to two of them. The water mol-ecule site is not fully occupied in the crystal studied, with a refined site occupancy of 0.167 (5). The 27-atom ring system is approximately planar, with a maximum deviation of 0.148 (1) Å, and the three ester substituents are ...[more]

PMID: 21522612

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