Information card for entry 4107191

Structure parameters

• Formula: C27 H35 N O7
• Calculated formula: C27 H35 N O7
• SMILES: c1(ccccc1)[C@H]1[C@@H](C)N(C(=O)O1)C(=O)[C@@H](C)[C@H](C(=C\CCOCc1ccc(cc1)OC)\C)O.O
• Title of publication: Total Synthesis of the Spirocyclic Imine Marine Toxin (-)-Gymnodimine and an Unnatural C4-Epimer
• Authors of publication: Ke Kong; Ziad Moussa; Changsuk Lee; Daniel Romo
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2011
• Journal volume: 133
• Pages of publication: 19844 - 19856
• a: 6.79 ± 0.002 Å
• b: 14.525 ± 0.005 Å
• c: 26.401 ± 0.01 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2603.8 ± 1.5 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 273 ± 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: 0.0786
• Residual factor for significantly intense reflections: 0.0489
• Weighted residual factors for significantly intense reflections: 0.1071
• Weighted residual factors for all reflections included in the refinement: 0.122
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No