Information card for entry 2009671

Structure parameters

• Formula: C20 H24 N2 O
• Calculated formula: C20 H24 N2 O
• SMILES: N1[C@@H]([C@H](NC(=O)C[C@@H]1c1ccccc1)C(C)C)c1ccccc1
• Title of publication: <i>t</i>-3-Isopropyl-<i>r</i>-2,<i>c</i>-7-diphenylhexahydro-1,4-diazepin-5-one, C~20~H~24~N~2~O
• Authors of publication: Ravikumar, K.; Rajan, S.S.; Parthasarathi, V.; Thiruvalluvar, A.; Jeyaraman, R.; Senthilkumar, U.P.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1994
• Journal volume: 50
• Journal issue: 5
• Pages of publication: 827 - 829
• a: 5.903 ± 0.002 Å
• b: 11.143 ± 0.005 Å
• c: 13.912 ± 0.004 Å
• α: 77.72 ± 0.03°
• β: 82.83 ± 0.02°
• γ: 83.12 ± 0.03°
• Cell volume: 883 ± 0.6 ų
• Cell temperature: 299 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 significantly intense reflections: 0.059
• Weighted residual factors for significantly intense reflections: 0.071
• Goodness-of-fit parameter for significantly intense reflections: 1.55
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No