Information card for entry 2206418

Structure parameters

• Chemical name: 2,6-Bis(2-methylphenyl)-1-nitroso-3,5-diphenylpiperidin-4-one
• Formula: C31 H28 N2 O2
• Calculated formula: C31 H28 N2 O2
• SMILES: O=NN1[C@H](c2c(cccc2)C)[C@@H](c2ccccc2)C(=O)[C@@H](c2ccccc2)[C@@H]1c1c(cccc1)C.O=NN1[C@@H](c2c(cccc2)C)[C@H](c2ccccc2)C(=O)[C@H](c2ccccc2)[C@H]1c1c(cccc1)C
• Title of publication: 2,6-Bis(2-methylphenyl)-1-nitroso-3,5-diphenylpiperidin-4-one
• Authors of publication: J. Suresh; V. P. Alex Raja; R. V. Krishnakumar; S. Natarajan; S. Perumal; A. Mostad
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 8
• Pages of publication: o2458 - o2460
• a: 10.7715 ± 0.0004 Å
• b: 11.0565 ± 0.0004 Å
• c: 20.9841 ± 0.0007 Å
• α: 90°
• β: 101.121 ± 0.002°
• γ: 90°
• Cell volume: 2452.18 ± 0.15 ų
• Cell temperature: 105 ± 2 K
• Ambient diffraction temperature: 300 ± 2 K
• Number of distinct elements: 4
• 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: 0.0413
• Residual factor for significantly intense reflections: 0.0381
• Weighted residual factors for significantly intense reflections: 0.098
• Weighted residual factors for all reflections included in the refinement: 0.1011
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes