Information card for entry 1545953

Structure parameters

• Formula: C27 H26 N2 O4
• Calculated formula: C27 H26 N2 O4
• SMILES: O(C(=O)N1CC(=C\C)\[C@@H]2C[C@H]1C1=Nc3c([C@]41[C@@H]2COC(=O)C4)cccc3)Cc1ccccc1
• Title of publication: Total Synthesis of Scholarisine K and Alstolactine A.
• Authors of publication: Wang, Dan; Hou, Min; Ji, Yue; Gao, Shuanhu
• Journal of publication: Organic letters
• Year of publication: 2017
• Journal volume: 19
• Journal issue: 7
• Pages of publication: 1922 - 1925
• a: 7.9238 ± 0.0005 Å
• b: 11.0281 ± 0.0008 Å
• c: 25.0507 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2189 ± 0.3 ų
• Cell temperature: 301 ± 2 K
• Ambient diffraction temperature: 301 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.1022
• Residual factor for significantly intense reflections: 0.0924
• Weighted residual factors for significantly intense reflections: 0.2385
• Weighted residual factors for all reflections included in the refinement: 0.2474
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No