Information card for entry 2234713

Structure parameters

• Chemical name: 3,11-Dibromo-14-(4-chlorophenyl)-14<i>H</i>-dibenzo[<i>a</i>,<i>j</i>]xanthene dimethylformamide monosolvate
• Formula: C30 H22 Br2 Cl N O2
• Calculated formula: C30 H22 Br2 Cl N O2
• SMILES: Clc1ccc(cc1)C1c2c(ccc3c2ccc(c3)Br)Oc2c1c1ccc(cc1cc2)Br.O=CN(C)C
• Title of publication: 3,11-Dibromo-14-(4-chlorophenyl)-14<i>H</i>-dibenzo[<i>a</i>,<i>j</i>]xanthene dimethylformamide monosolvate
• Authors of publication: Song, Yong Bin; Liu, Bo
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 5
• Pages of publication: o1460
• a: 10.8558 ± 0.0012 Å
• b: 10.9385 ± 0.0012 Å
• c: 11.8946 ± 0.0013 Å
• α: 74.443 ± 0.001°
• β: 80.967 ± 0.001°
• γ: 71.448 ± 0.001°
• Cell volume: 1286 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0703
• Residual factor for significantly intense reflections: 0.0388
• Weighted residual factors for significantly intense reflections: 0.0838
• Weighted residual factors for all reflections included in the refinement: 0.0912
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes