Information card for entry 2225188

Structure parameters

• Chemical name: 12-(4-Chlorophenyl)-9,9-dimethyl-9,10-dihydro-8<i>H</i>-benzo[<i>a</i>]xanthen- 11(12<i>H</i>)-one
• Formula: C25 H21 Cl O2
• Calculated formula: C25 H21 Cl O2
• SMILES: Clc1ccc(C2c3c(OC4=C2C(=O)CC(C4)(C)C)ccc2ccccc32)cc1
• Title of publication: 12-(4-Chlorophenyl)-9,9-dimethyl-9,10-dihydro-8<i>H</i>-benzo[<i>a</i>]xanthen-11(12<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: 3
• Pages of publication: o547
• a: 10.293 ± 0.002 Å
• b: 11.621 ± 0.002 Å
• c: 16.447 ± 0.003 Å
• α: 90°
• β: 90.04 ± 0.03°
• γ: 90°
• Cell volume: 1967.3 ± 0.6 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 4
• 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: 0.0773
• Residual factor for significantly intense reflections: 0.053
• Weighted residual factors for significantly intense reflections: 0.1218
• Weighted residual factors for all reflections included in the refinement: 0.1357
• Goodness-of-fit parameter for all reflections included in the refinement: 0.913
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes