Information card for entry 4102565

Structure parameters

• Formula: C23 H24 N2 O5
• Calculated formula: C23 H24 N2 O5
• SMILES: O(c1ccc2c(N([C@@H]3[C@]42[C@]25O[C@@]3(C[C@@]5(CCC(=O)N2CC4)C#C)C(=O)OC)C)c1)C
• Title of publication: Total Synthesis and Evaluation of a Key Series of C5-Substituted Vinblastine Derivatives
• Authors of publication: Porino Va; Erica L. Campbell; William M. Robertson; Dale L. Boger
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2010
• Journal volume: 132
• Pages of publication: 8489 - 8495
• a: 10.341 ± 0.002 Å
• b: 10.798 ± 0.002 Å
• c: 18.045 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2014.9 ± 0.7 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: 0.1213
• Residual factor for significantly intense reflections: 0.0844
• Weighted residual factors for significantly intense reflections: 0.1399
• Weighted residual factors for all reflections included in the refinement: 0.1543
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No