Information card for entry 7155437

Structure parameters

• Formula: C16 H19 N O2
• Calculated formula: C16 H19 N O2
• SMILES: O=C1N(C(=O)[C@H]2[C@@H]1C2(c1ccccc1)C)C(C)(C)C
• Title of publication: Synthesis of 3-azabicyclo[3.1.0]hexane derivatives via palladium-catalyzed cyclopropanation of maleimides with N-tosylhydrazones: practical and facile access to CP-866,087.
• Authors of publication: Chen, Pengquan; Zhu, Chuanle; Zhu, Rui; Lin, Zhiming; Wu, Wanqing; Jiang, Huanfeng
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2017
• Journal volume: 15
• Journal issue: 5
• Pages of publication: 1228 - 1235
• a: 8.8657 ± 0.0018 Å
• b: 11.708 ± 0.002 Å
• c: 13.548 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1406.3 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0972
• Residual factor for significantly intense reflections: 0.0585
• Weighted residual factors for significantly intense reflections: 0.1521
• Weighted residual factors for all reflections included in the refinement: 0.2084
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No