Information card for entry 2208184

Structure parameters

• Chemical name: 9-(1-naphthyl)-9H-xanthen-9-ol acetone solvate
• Formula: C26 H22 O3
• Calculated formula: C26 H22 O3
• SMILES: O1c2ccccc2C(O)(c2ccccc12)c1cccc2ccccc12.O=C(C)C
• Title of publication: Inclusion of acetone by 9-(1-naphthyl)-9<i>H</i>-xanthen-9-ol
• Authors of publication: Jacobs, Ayesha; Nassimbeni, Luigi R.; Taljaard, Jana H.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 2
• Pages of publication: o825 - o827
• a: 11.58 ± 0.002 Å
• b: 9.7036 ± 0.0019 Å
• c: 17.489 ± 0.004 Å
• α: 90°
• β: 90.7 ± 0.03°
• γ: 90°
• Cell volume: 1965.1 ± 0.7 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.081
• Residual factor for significantly intense reflections: 0.049
• Weighted residual factors for significantly intense reflections: 0.11
• Weighted residual factors for all reflections included in the refinement: 0.124
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes