Information card for entry 4103121

Structure parameters

• Formula: C24 H31 I N2 O5
• Calculated formula: C24 H31 I N2 O5
• SMILES: I[C@H]1CN2[C@@H]3[C@]4(c5ccccc5N([C@H]4[C@](O)([C@H](OC(=O)C)[C@@]3(C1)CC)C(=O)OC)C)CC2
• 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: 15.716 ± 0.003 Å
• b: 16.897 ± 0.003 Å
• c: 18.545 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4924.7 ± 1.7 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• 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: 0.0506
• Residual factor for significantly intense reflections: 0.0445
• Weighted residual factors for significantly intense reflections: 0.1113
• Weighted residual factors for all reflections included in the refinement: 0.116
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No