Information card for entry 7214592

Structure parameters

• Formula: C23.5 H20 O3
• Calculated formula: C23.5 H16 O3
• Title of publication: How to monitor guest exchange in host‒guest systems
• Authors of publication: Nassimbeni, Luigi R.; Su, Hong
• Journal of publication: CrystEngComm
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 37
• Pages of publication: 7396
• a: 8.3923 ± 0.0003 Å
• b: 9.0879 ± 0.0004 Å
• c: 12.7002 ± 0.0007 Å
• α: 95.557 ± 0.002°
• β: 96.234 ± 0.002°
• γ: 110.261 ± 0.003°
• Cell volume: 893.88 ± 0.07 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1452
• Residual factor for significantly intense reflections: 0.0495
• Weighted residual factors for significantly intense reflections: 0.0951
• Weighted residual factors for all reflections included in the refinement: 0.1184
• Goodness-of-fit parameter for all reflections included in the refinement: 0.918
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No