Information card for entry 1551960

Structure parameters

• Formula: C34.48 H34.96 Cl0.96 O14
• Calculated formula: C34.478 H34.956 Cl0.956 O14
• Title of publication: Atropselective syntheses of (-) and (+) rugulotrosin A utilizing point-to-axial chirality transfer
• Authors of publication: Tian Qin; Sarah L. Skraba-Joiner; Zeinab G. Khalil; Richard P. Johnson; Robert J. Capon; John A. Porco Jr
• Journal of publication: Nature Chemistry
• Year of publication: 2015
• Journal volume: 7
• Pages of publication: 234 - 240
• a: 9.8002 ± 0.0008 Å
• b: 11.4061 ± 0.001 Å
• c: 30.952 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3459.9 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 20
• Hermann-Mauguin space group symbol: C 2 2 21
• Hall space group symbol: C 2c 2
• Residual factor for all reflections: 0.0398
• Residual factor for significantly intense reflections: 0.0394
• Weighted residual factors for significantly intense reflections: 0.1254
• Weighted residual factors for all reflections included in the refinement: 0.1259
• Goodness-of-fit parameter for all reflections included in the refinement: 1.217
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No