Information card for entry 7160537

Structure parameters

• Formula: C18 H18 Br2 O3
• Calculated formula: C18 H18 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: 6.4686 ± 0.0003 Å
• b: 9.6305 ± 0.0005 Å
• c: 14.1364 ± 0.0006 Å
• α: 83.716 ± 0.004°
• β: 83.816 ± 0.004°
• γ: 87.352 ± 0.004°
• Cell volume: 869.73 ± 0.07 ų
• Cell temperature: 100.01 ± 0.1 K
• Ambient diffraction temperature: 100.01 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0697
• Residual factor for significantly intense reflections: 0.0654
• Weighted residual factors for significantly intense reflections: 0.1765
• Weighted residual factors for all reflections included in the refinement: 0.1824
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No