Information card for entry 1555743

Structure parameters

• Formula: C15 H21 N O3
• Calculated formula: C15 H21 N O3
• SMILES: O=C1N2[C@@]34[C@H](CC1)[C@@H](C[C@H](C3)C)CC(=O)[C@@]4(O)CC2
• 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: 8.4853 ± 0.0003 Å
• b: 8.4853 ± 0.0003 Å
• c: 37.19 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2677.69 ± 0.17 ų
• Cell temperature: 294.44 ± 0.1 K
• Ambient diffraction temperature: 294.44 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 96
• Hermann-Mauguin space group symbol: P 43 21 2
• Hall space group symbol: P 4nw 2abw
• Residual factor for all reflections: 0.082
• Residual factor for significantly intense reflections: 0.0552
• Weighted residual factors for significantly intense reflections: 0.1114
• Weighted residual factors for all reflections included in the refinement: 0.1274
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No