Information card for entry 2206773

Structure parameters

• Chemical name: 1-(4-Chlorobenzyl)-6,6-dimethyl-2-phenyl-1,5,6,7-tetrahydro-4H-indol-4-one
• Formula: C23 H22 Cl N O
• Calculated formula: C23 H22 Cl N O
• SMILES: Clc1ccc(Cn2c(cc3C(=O)CC(Cc23)(C)C)c2ccccc2)cc1
• Title of publication: 1-(4-Chlorobenzyl)-6,6-dimethyl-2-phenyl-1,5,6,7-tetrahydro-4<i>H</i>-indol-4-one
• Authors of publication: Chopra, Deepak; Nagarajan, K.; Guru Row, T. N.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 9
• Pages of publication: o3092 - o3094
• a: 9.7761 ± 0.0014 Å
• b: 13.0082 ± 0.0019 Å
• c: 15.832 ± 0.002 Å
• α: 75.9 ± 0.003°
• β: 87.872 ± 0.003°
• γ: 81.639 ± 0.003°
• Cell volume: 1931.9 ± 0.5 ų
• Cell temperature: 290 ± 2 K
• Ambient diffraction temperature: 290 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1733
• Residual factor for significantly intense reflections: 0.0878
• Weighted residual factors for significantly intense reflections: 0.1621
• Weighted residual factors for all reflections included in the refinement: 0.1996
• Goodness-of-fit parameter for all reflections included in the refinement: 1.097
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes