Information card for entry 1555688

Structure parameters

• Formula: C16 H23 N O2
• Calculated formula: C16 H23 N O2
• SMILES: O=C1N2[C@@]34[C@H](CCC2)C(=O)C[C@@H]([C@H]3CC1)C[C@H](C4)C
• Title of publication: Protecting-Group-Free Total Synthesis of (-)-Lycopodine via Phosphoric Acid Promoted Alkyne Aza-Prins Cyclization.
• Authors of publication: Ma, Donghui; Zhong, Zhuliang; Liu, Zaimin; Zhang, Mingjie; Xu, Shiyan; Xu, Dengyu; Song, Dengpeng; Xie, Xingang; She, Xuegong
• Journal of publication: Organic letters
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 17
• Pages of publication: 4328 - 4331
• a: 10.9468 ± 0.0004 Å
• b: 13.1316 ± 0.0005 Å
• c: 19.8805 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2857.8 ± 0.19 ų
• Cell temperature: 296.71 ± 0.1 K
• Ambient diffraction temperature: 296.71 ± 0.1 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: 0.0442
• Residual factor for significantly intense reflections: 0.0395
• Weighted residual factors for significantly intense reflections: 0.0987
• Weighted residual factors for all reflections included in the refinement: 0.1037
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No