Information card for entry 4508874

Structure parameters

• Chemical name: 9-(4-methoxyphenyl)-9H-xanthen-9-ol pyrene clathrate
• Formula: C28 H21 O3
• Calculated formula: C28 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: 8.393 ± 0.0005 Å
• b: 9.7237 ± 0.0006 Å
• c: 12.9654 ± 0.001 Å
• α: 94.018 ± 0.003°
• β: 91.57 ± 0.002°
• γ: 110.732 ± 0.003°
• Cell volume: 985.62 ± 0.12 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: 0.1049
• Residual factor for significantly intense reflections: 0.0635
• Weighted residual factors for significantly intense reflections: 0.1574
• Weighted residual factors for all reflections included in the refinement: 0.1782
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No