Information card for entry 7160536

Structure parameters

• Formula: C22 H22 Br2 O3
• Calculated formula: C22 H22 Br2 O3
• Title of publication: Synthetic studies towards xanthomonadin.
• Authors of publication: Hsieh, Min-Tsang; Lin, Hui-Chang
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2025
• Journal volume: 23
• Journal issue: 21
• Pages of publication: 5234 - 5239
• a: 11.1866 ± 0.0001 Å
• b: 11.4178 ± 0.0001 Å
• c: 63.8254 ± 0.0007 Å
• α: 90°
• β: 90.635 ± 0.001°
• γ: 90°
• Cell volume: 8151.69 ± 0.14 ų
• Cell temperature: 100.01 ± 0.13 K
• Ambient diffraction temperature: 100.01 ± 0.13 K
• Number of distinct elements: 4
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.094
• Residual factor for significantly intense reflections: 0.0926
• Weighted residual factors for significantly intense reflections: 0.2425
• Weighted residual factors for all reflections included in the refinement: 0.2435
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No