Information card for entry 2209330

Structure parameters

• Chemical name: (1R,5R,6R)-Ethyl 3-benzyl-2,4-dioxo-3-azabicyclo[3.1.0]hexane-6-carboxylate
• Formula: C15 H15 N O4
• Calculated formula: C15 H15 N O4
• SMILES: CCOC(=O)[C@@H]1[C@@H]2[C@H]1C(=O)N(C2=O)Cc1ccccc1
• Title of publication: (1<i>R</i>,5<i>R</i>,6<i>R</i>)-Ethyl 3-benzyl-2,4-dioxo-3-azabicyclo[3.1.0]hexane-6-carboxylate
• Authors of publication: Wu, Jie-Hua; Zhang, Chun-Tao; Zhou, Li-Na; Wang, Jing-Kang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 6
• Pages of publication: o2331 - o2332
• a: 14.185 ± 0.003 Å
• b: 5.2973 ± 0.0011 Å
• c: 18.661 ± 0.004 Å
• α: 90°
• β: 101.26 ± 0.03°
• γ: 90°
• Cell volume: 1375.2 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.063
• Residual factor for significantly intense reflections: 0.046
• Weighted residual factors for significantly intense reflections: 0.144
• Weighted residual factors for all reflections included in the refinement: 0.157
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes