Information card for entry 2228291

Structure parameters

• Chemical name: 9-(2,4-Dichlorophenyl)-3,3,6,6-tetramethyl-3,4,5,6-tetrahydro-9<i>H</i>- xanthene-1,8(2<i>H</i>,7<i>H</i>)-dione
• Formula: C23 H24 Cl2 O3
• Calculated formula: C23 H24 Cl2 O3
• SMILES: Clc1c(C2C3=C(OC4=C2C(=O)CC(C4)(C)C)CC(CC3=O)(C)C)ccc(Cl)c1
• Title of publication: 9-(2,4-Dichlorophenyl)-3,3,6,6-tetramethyl-3,4,5,6-tetrahydro-9<i>H</i>-xanthene-1,8(2<i>H</i>,7<i>H</i>)-dione
• Authors of publication: Shi, Hao
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 12
• Pages of publication: o3200
• a: 9.8154 ± 0.001 Å
• b: 19.833 ± 0.002 Å
• c: 11.4441 ± 0.0011 Å
• α: 90°
• β: 111.873 ± 0.002°
• γ: 90°
• Cell volume: 2067.4 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.074
• Residual factor for significantly intense reflections: 0.0452
• Weighted residual factors for significantly intense reflections: 0.1087
• Weighted residual factors for all reflections included in the refinement: 0.1235
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes