Information card for entry 7150041

Structure parameters

• Common name: 9-(4-methoxyphenyl)-9H-xanthen-9-ol benzene clathrate
• Chemical name: 9-(4-methoxyphenyl)-9H-xanthen-9-ol benzene clathrate
• Formula: C23 H19 O3
• Calculated formula: C23 H19 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: 8.3757 ± 0.0001 Å
• b: 9.1004 ± 0.0001 Å
• c: 12.6928 ± 0.0002 Å
• α: 97.541 ± 0.001°
• β: 104.053 ± 0.001°
• γ: 109.405 ± 0.001°
• Cell volume: 861.14 ± 0.02 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: 0.0486
• Residual factor for significantly intense reflections: 0.0396
• Weighted residual factors for significantly intense reflections: 0.1032
• Weighted residual factors for all reflections included in the refinement: 0.1087
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No