Information card for entry 1543178

Structure parameters

• Chemical name: 2-[(4-Chlorophenyl)(2-phenyl-1<i>H</i>-indol-3-yl)methyl]cyclohexan-1-one
• Formula: C27 H24 Cl N O
• Calculated formula: C27 H24 Cl N O
• SMILES: Clc1ccc([C@@H](c2c3c([nH]c2c2ccccc2)cccc3)[C@H]2C(=O)CCCC2)cc1.Clc1ccc([C@H](c2c3c([nH]c2c2ccccc2)cccc3)[C@@H]2C(=O)CCCC2)cc1
• Title of publication: 2-[(4-Chlorophenyl)(2-phenyl-1<i>H</i>-indol-3-yl)methyl]cyclohexan-1-one
• Authors of publication: Venkatachalam, M.; Srinivasan, N.; Krishnakumar, R. V.; Chitra, S.; Manisankar, P.
• Journal of publication: IUCrData
• Year of publication: 2016
• Journal volume: 1
• Journal issue: 4
• Pages of publication: x160644
• a: 7.2562 ± 0.0002 Å
• b: 16.4818 ± 0.0005 Å
• c: 18.0306 ± 0.0006 Å
• α: 90°
• β: 95.149 ± 0.002°
• γ: 90°
• Cell volume: 2147.67 ± 0.11 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0734
• Residual factor for significantly intense reflections: 0.0453
• Weighted residual factors for significantly intense reflections: 0.1087
• Weighted residual factors for all reflections included in the refinement: 0.1241
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes