Information card for entry 4126039

Structure parameters

• Formula: C16 H25 N O2
• Calculated formula: C16 H25 N O2
• SMILES: O=C1[C@H]2[C@]34N(CCC[C@@]4(O)[C@@H](C1)C[C@@H](C3)C)CCC2.O=C1[C@@H]2[C@@]34N(CCC[C@]4(O)[C@H](C1)C[C@H](C3)C)CCC2
• Title of publication: Total Synthesis of (±)-Lycojaponicumin D and Lycodoline-Type Lycopodium Alkaloids.
• Authors of publication: Zhao, Xian-He; Zhang, Qing; Du, Ji-Yuan; Lu, Xin-Yun; Cao, Ye-Xing; Deng, Yu-Hua; Fan, Chun-An
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2017
• Journal volume: 139
• Journal issue: 20
• Pages of publication: 7095 - 7103
• a: 10.853 ± 0.0009 Å
• b: 7.9767 ± 0.0005 Å
• c: 16.4717 ± 0.0016 Å
• α: 90°
• β: 107.414 ± 0.01°
• γ: 90°
• Cell volume: 1360.6 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1407
• Residual factor for significantly intense reflections: 0.0682
• Weighted residual factors for significantly intense reflections: 0.1487
• Weighted residual factors for all reflections included in the refinement: 0.1979
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No