Information card for entry 2226749

Structure parameters

• Chemical name: 1,3-Bis(4-chlorophenyl)-1-methyl-1<i>H</i>-benzo[<i>f</i>]chromene
• Formula: C26 H18 Cl2 O
• Calculated formula: C26 H18 Cl2 O
• SMILES: Clc1ccc(C2=CC(c3c4ccccc4ccc3O2)(c2ccc(Cl)cc2)C)cc1
• Title of publication: 1,3-Bis(4-chlorophenyl)-1-methyl-1<i>H</i>-benzo[<i>f</i>]chromene
• Authors of publication: Chen, Rener; Zhou, Qizhong
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 7
• Pages of publication: o1760
• a: 8.9554 ± 0.0006 Å
• b: 9.4439 ± 0.0006 Å
• c: 12.3206 ± 0.0007 Å
• α: 93.511 ± 0.002°
• β: 102.045 ± 0.0015°
• γ: 94.287 ± 0.002°
• Cell volume: 1013.05 ± 0.11 ų
• Cell temperature: 296 ± 1 K
• Ambient diffraction temperature: 296 ± 1 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0417
• Weighted residual factors for all reflections included in the refinement: 0.0945
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes