Information card for entry 7111456

Structure parameters

• Common name: Hexa-O-benzoyl-myo-inositol
• Chemical name: Hexa-O-benzoyl-myo-inositol
• Formula: C48 H36 O12
• Calculated formula: C48 H36 O12
• Title of publication: Capturing a metastable chiral polymorph of an achiral molecule?hexa-O-benzoyl-myo-inositol
• Authors of publication: Gonnade, Rajesh G.; Bhadbhade, Mohan M.; Shashidhar, Mysore S.
• Journal of publication: Chemical Communications
• Year of publication: 2004
• Journal issue: 22
• Pages of publication: 2530 - 2531
• a: 13.984 ± 0.0007 Å
• b: 13.984 ± 0.0007 Å
• c: 36.504 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 6182.1 ± 0.7 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 3
• Space group number: 169
• Hermann-Mauguin space group symbol: P 61
• Hall space group symbol: P 61
• Residual factor for all reflections: 0.0977
• Residual factor for significantly intense reflections: 0.0657
• Weighted residual factors for significantly intense reflections: 0.1132
• Weighted residual factors for all reflections included in the refinement: 0.1222
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No