Information card for entry 2208666

Structure parameters

• Chemical name: 1-Benzyl-2-[(2RS,3SR,6SR)-3-methyl-4-oxo-2,6-diphenylpiperidin-1-ylcarbonyl]- 2-phenylethenyl phenylacetate
• Formula: C42 H37 N O4
• Calculated formula: C42 H37 N O4
• SMILES: C(=C(c1ccccc1)\C(=O)N1[C@@H](c2ccccc2)[C@H](C)C(=O)C[C@H]1c1ccccc1)(Cc1ccccc1)\OC(=O)Cc1ccccc1.C(=C(c1ccccc1)\C(=O)N1[C@H](c2ccccc2)[C@@H](C)C(=O)C[C@@H]1c1ccccc1)(Cc1ccccc1)\OC(=O)Cc1ccccc1
• Title of publication: 1-Benzyl-2-[(2<i>RS</i>,3<i>SR</i>,6<i>SR</i>)-3-methyl-4-oxo-2,6-diphenylpiperidin-1-ylcarbonyl]-2-phenylethenyl phenylacetate
• Authors of publication: Thanikasalam, Kanagasabapathy; Jeyaraman, Ramasubbu; Panchanatheswaran, Krishnaswamy; Low, John N.; Glidewell, Christopher
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 4
• Pages of publication: o1443 - o1445
• a: 9.3027 ± 0.0003 Å
• b: 12.1333 ± 0.0005 Å
• c: 14.5927 ± 0.0006 Å
• α: 88.751 ± 0.0017°
• β: 78.574 ± 0.003°
• γ: 85.653 ± 0.002°
• Cell volume: 1609.79 ± 0.11 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.123
• Residual factor for significantly intense reflections: 0.0624
• Weighted residual factors for significantly intense reflections: 0.1298
• Weighted residual factors for all reflections included in the refinement: 0.1529
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes