Information card for entry 4023932

Structure parameters

• Common name: Taxoid SB-T-2054
• Formula: C51 H55 N O15
• Calculated formula: C50.9 H55 N O14.9
• Title of publication: Design, Synthesis, and Biological Evaluation of Novel C14‒C3' BzN-Linked Macrocyclic Taxoids
• Authors of publication: Liang Sun; Xudong Geng; Raphal Geney; Yuan Li; Carlos Simmerling; Zhong Li; Joseph W. Lauher; Shujun Xia; Susan B. Horwitz; Jean M. Veith; Paula Pera; Ralph J. Bernacki; Iwao Ojima
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2008
• Journal volume: 73
• Pages of publication: 9584 - 9593
• a: 14.567 ± 0.002 Å
• b: 15.564 ± 0.003 Å
• c: 31.013 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7031 ± 2 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 313 ± 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: 0.334
• Residual factor for significantly intense reflections: 0.1305
• Weighted residual factors for significantly intense reflections: 0.3096
• Weighted residual factors for all reflections included in the refinement: 0.3884
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No