Information card for entry 4103117

Structure parameters

• Formula: C31 H37.75 N2 O7
• Calculated formula: C31 H37.75 N2 O7
• SMILES: O[C@@]1([C@H]2N(c3ccccc3[C@]32[C@@H]2N(C(=O)C3)[C@@H](C[C@@]2([C@H]1OCc1ccccc1)CC)COCOC)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: 18.014 ± 0.004 Å
• b: 24.694 ± 0.005 Å
• c: 26.113 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 11616 ± 4 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: 0.152
• Residual factor for significantly intense reflections: 0.0784
• Weighted residual factors for significantly intense reflections: 0.1919
• Weighted residual factors for all reflections included in the refinement: 0.2458
• Goodness-of-fit parameter for all reflections included in the refinement: 0.992
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No