Information card for entry 8105064

Structure parameters

• Chemical name: 3-acetyl-6-bromo-4-hydroxy-2H-chromen-2-one
• Formula: C11 H7 Br O4
• Calculated formula: C11 H7 Br O4
• Title of publication: Crystal structure of 3-acetyl-6-bromo-4-hydroxy-2H-chromen-2-one, C11H7BrO4
• Authors of publication: Hulushe, Siya T.; Manyeruke, Meloddy H.; Hosten, Eric C.; Kaye, Perry T.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2019
• Journal volume: 235
• Journal issue: 1
• Pages of publication: 221 - 222
• a: 4.3164 ± 0.0005 Å
• b: 10.7922 ± 0.0012 Å
• c: 11.1521 ± 0.0011 Å
• α: 98.075 ± 0.004°
• β: 100.741 ± 0.004°
• γ: 95.325 ± 0.005°
• Cell volume: 501.55 ± 0.1 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 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: 0.0234
• Residual factor for significantly intense reflections: 0.0203
• Weighted residual factors for significantly intense reflections: 0.0529
• Weighted residual factors for all reflections included in the refinement: 0.0544
• Goodness-of-fit parameter for all reflections included in the refinement: 1.094
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No