Information card for entry 1544464

Structure parameters

• Chemical name: ysl-518-OBn-natural
• Formula: C31 H38 N2 O5
• Calculated formula: C31 H38 N2 O5
• Title of publication: Total synthesis of a key series of vinblastines modified at C4 that define the importance and surprising trends in activity.
• Authors of publication: Yang, Shouliang; Sankar, Kuppusamy; Skepper, Colin K.; Barker, Timothy J.; Lukesh, 3rd, John C; Brody, Daniel M.; Brütsch, Manuela M; Boger, Dale L.
• Journal of publication: Chemical science
• Year of publication: 2017
• Journal volume: 8
• Journal issue: 2
• Pages of publication: 1560 - 1569
• a: 27.2685 ± 0.0008 Å
• b: 27.2685 ± 0.0008 Å
• c: 7.6863 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5715.3 ± 0.3 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 79
• Hermann-Mauguin space group symbol: I 4
• Hall space group symbol: I 4
• Residual factor for all reflections: 0.0764
• Residual factor for significantly intense reflections: 0.051
• Weighted residual factors for significantly intense reflections: 0.1246
• Weighted residual factors for all reflections included in the refinement: 0.1399
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No