Information card for entry 4103120

Structure parameters

• Formula: C24 H31 Cl N2 O5
• Calculated formula: C24 H31 Cl N2 O5
• SMILES: Cl[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: 15.515 ± 0.003 Å
• b: 16.884 ± 0.003 Å
• c: 17.999 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4714.9 ± 1.6 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: 0.0698
• Residual factor for significantly intense reflections: 0.0595
• Weighted residual factors for significantly intense reflections: 0.1313
• Weighted residual factors for all reflections included in the refinement: 0.136
• Goodness-of-fit parameter for all reflections included in the refinement: 1.156
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No