Information card for entry 7214713

Structure parameters

• Common name: α-cyclodextrin hexahydrate
• Chemical name: cyclohexaamylose hexahydrate, cyclomaltohexaose hexahydrate
• Formula: C36 H72 O36
• Calculated formula: C36 H72 O36
• Title of publication: A novel hydrate of α-cyclodextrin crystallised under high-pressure conditions
• Authors of publication: Granero-García, Rubén; Lahoz, Fernando J.; Paulmann, Carsten; Saouane, Sofiane; Fabbiani, Francesca P. A.
• Journal of publication: CrystEngComm
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 24
• Pages of publication: 8664
• a: 14.8815 ± 0.0004 Å
• b: 33.7011 ± 0.001 Å
• c: 9.4872 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4758 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0749
• Residual factor for significantly intense reflections: 0.0498
• Weighted residual factors for significantly intense reflections: 0.1101
• Weighted residual factors for all reflections included in the refinement: 0.1245
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No