Information card for entry 4508873

Structure parameters

• Chemical name: 9-(4-methoxyphenyl)-9H-xanthen-9-ol phenanthrene clathrate
• Formula: C27 H21 O3
• Calculated formula: C27 H21 O3
• Title of publication: Xanthenol Clathrates: Structures and Solid−Solid Reactions
• Authors of publication: Curtis, Elizabeth; Nassimbeni, Luigi R.; Su, Hong; Taljaard, Jana H.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2006
• Journal volume: 6
• Journal issue: 12
• Pages of publication: 2716
• a: 8.3536 ± 0.0002 Å
• b: 9.2164 ± 0.0003 Å
• c: 13.3415 ± 0.0005 Å
• α: 93.913 ± 0.001°
• β: 91.04 ± 0.001°
• γ: 108.949 ± 0.001°
• Cell volume: 968.35 ± 0.05 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: 0.1048
• Residual factor for significantly intense reflections: 0.0712
• Weighted residual factors for significantly intense reflections: 0.1846
• Weighted residual factors for all reflections included in the refinement: 0.2104
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No