Information card for entry 2202502

Structure parameters

• Common name: 2,6-bis-4-(methylphenyl)-3-phenyl-pipridin-4-one
• Chemical name: 2,6-bis-4-(methylphenyl)-3-phenyl-pipridin-4-one
• Formula: C25 H25 N O
• Calculated formula: C25 H25 N O
• SMILES: O=C1[C@H]([C@@H](N[C@@H](C1)c1ccc(C)cc1)c1ccc(C)cc1)c1ccccc1.O=C1[C@@H]([C@H](N[C@H](C1)c1ccc(C)cc1)c1ccc(C)cc1)c1ccccc1
• Title of publication: 2,6-Bis(4-methylphenyl)-3-phenylpiperidin-4-one
• Authors of publication: Subha Nandhini, M.; M. Srinivasan; R. V. Krishnakumar; A. Mostad; S. Perumal; S. Selvaraj; S. Natarajan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 10
• Pages of publication: o1538 - o1540
• a: 15.214 ± 0.003 Å
• b: 8.7408 ± 0.0017 Å
• c: 14.885 ± 0.003 Å
• α: 90°
• β: 90.75 ± 0.03°
• γ: 90°
• Cell volume: 1979.3 ± 0.7 ų
• Cell temperature: 105 ± 2 K
• Ambient diffraction temperature: 105 ± 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: 0.0516
• Residual factor for significantly intense reflections: 0.0394
• Weighted residual factors for significantly intense reflections: 0.1122
• Weighted residual factors for all reflections included in the refinement: 0.1275
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes