Information card for entry 1516659

Structure parameters

• Formula: C18 H17 N O2
• Calculated formula: C18 H17 N O2
• SMILES: N1(C=Cc2c(cccc2)[C@H]([C@H](O)C1=O)c1ccccc1)C.N1(C=Cc2c(cccc2)[C@@H]([C@@H](O)C1=O)c1ccccc1)C
• Title of publication: Highly efficient and stereoselective N-vinylation of oxiranecarboxamides and unprecedented 8-endo-epoxy-arene cyclization: expedient and biomimetic synthesis of some Clausena alkaloids.
• Authors of publication: Yang, Luo; Deng, Gang; Wang, De-Xian; Huang, Zhi-Tang; Zhu, Jie-Ping; Wang, Mei-Xiang
• Journal of publication: Organic letters
• Year of publication: 2007
• Journal volume: 9
• Journal issue: 7
• Pages of publication: 1387 - 1390
• a: 12.063 ± 0.002 Å
• b: 11.771 ± 0.002 Å
• c: 11.209 ± 0.002 Å
• α: 90°
• β: 106.55 ± 0.03°
• γ: 90°
• Cell volume: 1525.7 ± 0.5 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0932
• Residual factor for significantly intense reflections: 0.0662
• Weighted residual factors for significantly intense reflections: 0.1721
• Weighted residual factors for all reflections included in the refinement: 0.1959
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No