Information card for entry 7218912

Structure parameters

• Chemical name: 4-Phenylpyridine-N-oxide beta-cyclodextrin nonahydrate
• Formula: C53 H97 N O45
• Calculated formula: C53 H79 N O45
• Title of publication: Studies on polymorph conversion in a new cyclodextrin inclusion compound
• Authors of publication: Fernandes, José A.; Ramos, Ana I.; Ribeiro-Claro, Paulo; Almeida Paz, Filipe A.; Braga, Susana S.
• Journal of publication: CrystEngComm
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 4
• Pages of publication: 937
• a: 18.7766 ± 0.0006 Å
• b: 24.6489 ± 0.0008 Å
• c: 15.3471 ± 0.0005 Å
• α: 90°
• β: 109.642 ± 0.002°
• γ: 90°
• Cell volume: 6689.7 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.1439
• Residual factor for significantly intense reflections: 0.0688
• Weighted residual factors for significantly intense reflections: 0.1592
• Weighted residual factors for all reflections included in the refinement: 0.197
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No