Information card for entry 2005186

Structure parameters

• Formula: C20.5 H24 Br N O6.5
• Calculated formula: C21.5 H27 Br N O7
• Title of publication: A C(10)-Oxygenated <i>ABC</i>-Ring Analogue of Paclitaxel (Taxol^T^^M^)
• Authors of publication: Banwell, M. G.; Hockless, D. C. R.; Peters, S. C.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 7
• Pages of publication: 1832 - 1834
• a: 7.623 ± 0.002 Å
• b: 9.046 ± 0.002 Å
• c: 15.768 ± 0.003 Å
• α: 80.06 ± 0.02°
• β: 86.19 ± 0.02°
• γ: 72.03 ± 0.01°
• Cell volume: 1018.7 ± 0.4 ų
• Cell temperature: 213 ± 1 K
• Ambient diffraction temperature: 213 ± 1 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0366
• Weighted residual factors for significantly intense reflections: 0.0461
• Goodness-of-fit parameter for significantly intense reflections: 2.904
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No