Information card for entry 4034324

Structure parameters

• Formula: C23 H22 N2 O7
• Calculated formula: C23 H22 N2 O7
• SMILES: O=C1N2[C@@H]3N(/C1=C\c1cc4OCOc4cc1)c1ccccc1[C@]3(O)C[C@H]2C(=O)OC.OC.O=C1N2[C@H]3N(/C1=C\c1cc4OCOc4cc1)c1ccccc1[C@@]3(O)C[C@@H]2C(=O)OC.OC
• Title of publication: Biomimetic Enantioselective Total Synthesis of (-)-Robustanoids A and B and Analogues.
• Authors of publication: Liu, Zhan-Jiang; Huang, Pei-Qiang
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2019
• Journal volume: 84
• Journal issue: 9
• Pages of publication: 5627 - 5634
• a: 21.012 ± 0.003 Å
• b: 9.291 ± 0.0015 Å
• c: 22.808 ± 0.004 Å
• α: 90°
• β: 115.469 ± 0.002°
• γ: 90°
• Cell volume: 4019.9 ± 1.1 ų
• Cell temperature: 203 K
• Ambient diffraction temperature: 203 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0519
• Residual factor for significantly intense reflections: 0.0496
• Weighted residual factors for significantly intense reflections: 0.1193
• Weighted residual factors for all reflections included in the refinement: 0.121
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0226
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No