Information card for entry 2014204

Structure parameters

• Chemical name: ethyl 3-(1,1'-biphenyl-4-yl)-2-(formylamino)-2-(4-phenylbenzyl)propionate
• Formula: C31 H29 N O3
• Calculated formula: C31 H29 N O3
• SMILES: C(Cc1ccc(cc1)c1ccccc1)(Cc1ccc(cc1)c1ccccc1)(C(=O)OCC)NC=O
• Title of publication: Conformational switching caused by biphenyl substitution at the C^{α^} position: ethyl 2-benzyl-2-(formylamino)-3-phenylpropionate and ethyl 3-(1,1'-biphenyl-4-yl)-2-(formylamino)-2-(4-phenylbenzyl)propionate
• Authors of publication: Lakshminarasimhan Damodharan; Vasantha Pattabhi; Manoranjan Behera; Sambasivarao Kotha
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 7
• Pages of publication: o527 - o530
• a: 26.761 ± 0.005 Å
• b: 10.9424 ± 0.0019 Å
• c: 8.5818 ± 0.0015 Å
• α: 90°
• β: 95.068 ± 0.003°
• γ: 90°
• Cell volume: 2503.2 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1716
• Residual factor for significantly intense reflections: 0.0796
• Weighted residual factors for significantly intense reflections: 0.1325
• Weighted residual factors for all reflections included in the refinement: 0.1611
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes