Information card for entry 2015368

Structure parameters

• Chemical name: (2RS,6SR)-N-diphenylacetyl-2,6-diphenyl-4-piperidone
• Formula: C31 H27 N O2
• Calculated formula: C31 H27 N O2
• SMILES: N1([C@H](CC(=O)C[C@H]1c1ccccc1)c1ccccc1)C(=O)C(c1ccccc1)c1ccccc1
• Title of publication: Sheets built from C—H···O and C—H···π(arene) hydrogen bonds in (2<i>RS</i>,6<i>SR</i>)-<i>N</i>-diphenylacetyl-2,6-diphenylpiperidin-4-one and (2<i>RS</i>,3<i>SR</i>,5<i>RS</i>,6<i>SR</i>)-3,5-dimethyl-<i>N</i>-phenylacetyl-2,6-diphenylpiperidin-4-one
• Authors of publication: Thanikasalam, Kanagasabapathy; Jeyaraman, Ramasubbu; Panchanatheswaran, Krishnaswamy; Low, John N.; Glidewell, Christopher
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 6
• Pages of publication: o324 - o327
• a: 11.2499 ± 0.0002 Å
• b: 11.8622 ± 0.0003 Å
• c: 18.232 ± 0.0005 Å
• α: 90°
• β: 107.875 ± 0.0015°
• γ: 90°
• Cell volume: 2315.59 ± 0.1 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0666
• Residual factor for significantly intense reflections: 0.0454
• Weighted residual factors for significantly intense reflections: 0.1015
• Weighted residual factors for all reflections included in the refinement: 0.1126
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes