Information card for entry 7111458

Structure parameters

• Common name: Hexa-O-benzoyl-myo-inositol
• Chemical name: Hexa-O-benzoyl-myo-inositol
• Formula: C49.75 H40 Cl3.5 O12.25
• Calculated formula: C49.75 H39.5 Cl3.5 O12.25
• 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: 13.961 ± 0.002 Å
• b: 14.214 ± 0.002 Å
• c: 15.134 ± 0.002 Å
• α: 104.827 ± 0.002°
• β: 101.516 ± 0.002°
• γ: 117.97 ± 0.002°
• Cell volume: 2377.6 ± 0.6 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0828
• Residual factor for significantly intense reflections: 0.0667
• Weighted residual factors for significantly intense reflections: 0.1866
• Weighted residual factors for all reflections included in the refinement: 0.2021
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No