Information card for entry 1555742

Structure parameters

• Formula: C15 H19 Cl2 N O2
• Calculated formula: C15 H19 Cl2 N O2
• SMILES: Cl[C@@H]1CN2C(=O)CC[C@H]3[C@@]42[C@]1(Cl)C(=O)C[C@@H]3C[C@H](C4)C
• Title of publication: Asymmetric Total Synthesis of (-)-Lycospidine A.
• Authors of publication: Xu, Shiyan; Zhang, Jing; Ma, Donghui; Xu, Dengyu; Xie, Xingang; She, Xuegong
• Journal of publication: Organic letters
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 18
• Pages of publication: 4682 - 4685
• a: 14.6129 ± 0.0006 Å
• b: 14.6129 ± 0.0006 Å
• c: 14.5834 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 2696.88 ± 0.19 ų
• Cell temperature: 290.8 ± 0.2 K
• Ambient diffraction temperature: 290.8 ± 0.2 K
• Number of distinct elements: 5
• Space group number: 169
• Hermann-Mauguin space group symbol: P 61
• Hall space group symbol: P 61
• Residual factor for all reflections: 0.0682
• Residual factor for significantly intense reflections: 0.0466
• Weighted residual factors for significantly intense reflections: 0.1113
• Weighted residual factors for all reflections included in the refinement: 0.1229
• Goodness-of-fit parameter for all reflections included in the refinement: 0.993
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No