Information card for entry 4103118

Structure parameters

• Formula: C24 H30 N2 O5
• Calculated formula: C24 H30 N2 O5
• SMILES: O1[C@@]2([C@H]3N(c4ccccc4[C@]43[C@@H]3N(CC4)[C@]1(C[C@@]3([C@@H]2OC(=O)C)CC)C)C)C(=O)OC
• Title of publication: Asymmetric Total Synthesis of Vindorosine, Vindoline, and Key Vinblastine Analogues
• Authors of publication: Yoshikazu Sasaki; Daisuke Kato; Dale L. Boger
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2010
• Journal volume: 132
• Pages of publication: 13533 - 13544
• a: 8.8278 ± 0.0018 Å
• b: 16.708 ± 0.003 Å
• c: 30.252 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4462 ± 1.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0778
• Residual factor for significantly intense reflections: 0.0614
• Weighted residual factors for significantly intense reflections: 0.1359
• Weighted residual factors for all reflections included in the refinement: 0.1439
• Goodness-of-fit parameter for all reflections included in the refinement: 1.117
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No