Information card for entry 1546799

Structure parameters

• Formula: C16 H21 N O3
• Calculated formula: C16 H21 N O3
• SMILES: O=C1CCCN2CCC[C@]32OC(=O)C2=C3C[C@H]1C[C@H]2C
• Title of publication: Lycoplanine A, a C16N Lycopodium Alkaloid with a 6/9/5 Tricyclic Skeleton from Lycopodium complanatum.
• Authors of publication: Zhang, Zhi-Jun; Nian, Yin; Zhu, Qin-Feng; Li, Xiao-Nian; Su, Jia; Wu, Xing-De; Yang, Jian; Zhao, Qin-Shi
• Journal of publication: Organic letters
• Year of publication: 2017
• Journal volume: 19
• Journal issue: 17
• Pages of publication: 4668 - 4671
• a: 12.9639 ± 0.0005 Å
• b: 12.9639 ± 0.0005 Å
• c: 14.8451 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 2160.65 ± 0.15 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 170
• Hermann-Mauguin space group symbol: P 65
• Hall space group symbol: P 65
• Residual factor for all reflections: 0.0343
• Residual factor for significantly intense reflections: 0.034
• Weighted residual factors for significantly intense reflections: 0.0864
• Weighted residual factors for all reflections included in the refinement: 0.0867
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No