Information card for entry 4504090

Structure parameters

• Chemical name: 9-(4-methoxyphenyl)-9H-xanthen-9-ol cyclohexane clathrate
• Formula: C23 H22 O3
• Calculated formula: C23 H22 O3
• Title of publication: Inclusion by a Xanthenol Host: Relating Structure to the Kinetics of Desolvation and Guest Exchange
• Authors of publication: Jacobs, Ayesha; Faleni, Nobathembu; Nassimbeni, Luigi R.; Taljaard, Jana H.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2007
• Journal volume: 7
• Journal issue: 6
• Pages of publication: 1003
• a: 8.4834 ± 0.0017 Å
• b: 9.1242 ± 0.0018 Å
• c: 12.712 ± 0.003 Å
• α: 96.1 ± 0.03°
• β: 104.73 ± 0.03°
• γ: 110.41 ± 0.03°
• Cell volume: 871 ± 0.4 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: 0.0523
• Residual factor for significantly intense reflections: 0.0383
• Weighted residual factors for significantly intense reflections: 0.0955
• Weighted residual factors for all reflections included in the refinement: 0.1026
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No