Information card for entry 2224708

Structure parameters

• Chemical name: 12-(2-Methoxyphenyl)-9,9-dimethyl-9,10-dihydro-8<i>H</i>- benzo[<i>a</i>]xanthen-11(12<i>H</i>)-one
• Formula: C26 H24 O3
• Calculated formula: C26 H24 O3
• SMILES: O1C2=C(C(c3c1ccc1c3cccc1)c1c(OC)cccc1)C(=O)CC(C2)(C)C
• Title of publication: 12-(2-Methoxyphenyl)-9,9-dimethyl-8,9-dihydro-12<i>H</i>-benzo[<i>a</i>]xanthen-11(10<i>H</i>)-one
• Authors of publication: Li, De-Ling; Wang, Li-Hong
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 1
• Pages of publication: o119
• a: 7.8454 ± 0.0011 Å
• b: 22.67 ± 0.003 Å
• c: 11.31 ± 0.0013 Å
• α: 90°
• β: 98.893 ± 0.004°
• γ: 90°
• Cell volume: 1987.4 ± 0.4 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0595
• Residual factor for significantly intense reflections: 0.0489
• Weighted residual factors for significantly intense reflections: 0.113
• Weighted residual factors for all reflections included in the refinement: 0.1215
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes