Information card for entry 4126037

Structure parameters

• Formula: C16 H23 N O3
• Calculated formula: C16 H23 N O3
• SMILES: OC1=C2[C@]34N(CCC[C@]3(O)[C@H](CC1=O)C[C@H](C4)C)CC2.OC1=C2[C@@]34N(CCC[C@@]3(O)[C@@H](CC1=O)C[C@@H](C4)C)CC2
• 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: 8.499 ± 0.003 Å
• b: 9.1139 ± 0.0017 Å
• c: 10.798 ± 0.003 Å
• α: 91.404 ± 0.018°
• β: 104.88 ± 0.02°
• γ: 116.48 ± 0.02°
• Cell volume: 714.1 ± 0.4 ų
• Cell temperature: 293.8 ± 0.3 K
• Ambient diffraction temperature: 293.8 ± 0.3 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1005
• Residual factor for significantly intense reflections: 0.059
• Weighted residual factors for significantly intense reflections: 0.1238
• Weighted residual factors for all reflections included in the refinement: 0.1542
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No