Information card for entry 7150042

Structure parameters

• Common name: 9-(4-methoxyphenyl)-9H-xanthen-9-ol o-xylene clathrate
• Chemical name: 9-(4-methoxyphenyl)-9H-xanthen-9-ol o-xylene clathrate
• Formula: C24 H21 O3
• Calculated formula: C24 H16 O3
• Title of publication: Xanthenol clathrates: structure, thermal stability, guest exchange and kinetics of desolvation.
• Authors of publication: Jacobs, Ayesha; Nassimbeni, Luigi R.; Su, Hong; Taljaard, Benjamin
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2005
• Journal volume: 3
• Journal issue: 7
• Pages of publication: 1319 - 1322
• a: 8.3654 ± 0.0001 Å
• b: 9.0652 ± 0.0001 Å
• c: 12.873 ± 0.0003 Å
• α: 96.696 ± 0.001°
• β: 94.048 ± 0.001°
• γ: 109.717 ± 0.001°
• Cell volume: 906.38 ± 0.03 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: 0.099
• Residual factor for significantly intense reflections: 0.0904
• Weighted residual factors for significantly intense reflections: 0.2273
• Weighted residual factors for all reflections included in the refinement: 0.2341
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No