Information card for entry 2207054

Structure parameters

• Chemical name: 2,6-Bis(2-chlorophenyl)-1-nitroso-3,5-diphenylpiperidin-4-one
• Formula: C29 H22 Cl2 N2 O2
• Calculated formula: C29 H22 Cl2 N2 O2
• SMILES: Clc1c([C@@H]2N(N=O)[C@H](c3ccccc3Cl)[C@H](C(=O)[C@H]2c2ccccc2)c2ccccc2)cccc1.Clc1c([C@H]2N(N=O)[C@@H](c3ccccc3Cl)[C@@H](C(=O)[C@@H]2c2ccccc2)c2ccccc2)cccc1
• Title of publication: 2,6-Bis(2-chlorophenyl)-1-nitroso-3,5-diphenylpiperidin-4-one
• Authors of publication: J. Suresh; V. P. Alex Raja; S. Natarajan; S. Perumal; A. Mostad; R. V. Krishnakumar
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 10
• Pages of publication: o3391 - o3393
• a: 10.5812 ± 0.0003 Å
• b: 12.9766 ± 0.0004 Å
• c: 17.5935 ± 0.0005 Å
• α: 90°
• β: 95.863 ± 0.001°
• γ: 90°
• Cell volume: 2403.09 ± 0.12 ų
• Cell temperature: 105 ± 2 K
• Ambient diffraction temperature: 105 ± 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: 0.0428
• Residual factor for significantly intense reflections: 0.0341
• Weighted residual factors for significantly intense reflections: 0.0902
• Weighted residual factors for all reflections included in the refinement: 0.0977
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes