Information card for entry 1555689

Structure parameters

• Formula: C13 H19 N O2
• Calculated formula: C13 H19 N O2
• SMILES: O=C1N[C@]23[C@H](CC1)[C@H](CC(=O)C2)C[C@H](C3)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: 7.6484 ± 0.0007 Å
• b: 7.0465 ± 0.0006 Å
• c: 10.9071 ± 0.0009 Å
• α: 90°
• β: 98.254 ± 0.009°
• γ: 90°
• Cell volume: 581.74 ± 0.09 ų
• Cell temperature: 293.42 ± 0.1 K
• Ambient diffraction temperature: 293.42 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0469
• Residual factor for significantly intense reflections: 0.0417
• Weighted residual factors for significantly intense reflections: 0.0952
• Weighted residual factors for all reflections included in the refinement: 0.0995
• Goodness-of-fit parameter for all reflections included in the refinement: 1.099
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No