Information card for entry 7204816

Structure parameters

• Formula: C39 H33.39 O3.72
• Calculated formula: C39.02 H30 O3.73
• Title of publication: Versatility in stabilization of crystalline inclusion complexes of a bulky diol host by various closely related acidic and ester guests
• Authors of publication: Ingeborg Csöregh; Shinya Hirano; Shinji Toyota; Petra Bombicz; Fumio Toda
• Journal of publication: CrystEngComm
• Year of publication: 2004
• Journal volume: 6
• Journal issue: 14
• Pages of publication: 60 - 69
• a: 35.329 ± 0.004 Å
• b: 35.329 ± 0.004 Å
• c: 12.437 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 13443 ± 2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 3
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0885
• Residual factor for significantly intense reflections: 0.0492
• Weighted residual factors for significantly intense reflections: 0.099
• Weighted residual factors for all reflections included in the refinement: 0.1121
• Goodness-of-fit parameter for all reflections included in the refinement: 0.969
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No