Information card for entry 8104670

Structure parameters

• Common name: ω-bromohexdanoic acid
• Chemical name: 6-bromohexanoic acid
• Formula: C6 H11 Br O2
• Calculated formula: C6 H11 Br O2
• Title of publication: The crystal structure of 6-bromohexanoic acid, C6H11BrO2
• Authors of publication: Ndima, Lubabalo; Hosten, Eric C.; Betz, Richard
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2021
• Journal volume: 236
• Journal issue: 5
• Pages of publication: 1077 - 1078
• a: 10.673 ± 0.0014 Å
• b: 5.2781 ± 0.0006 Å
• c: 14.7781 ± 0.0018 Å
• α: 90°
• β: 109.61 ± 0.004°
• γ: 90°
• Cell volume: 784.21 ± 0.17 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0318
• Residual factor for significantly intense reflections: 0.0225
• Weighted residual factors for significantly intense reflections: 0.0535
• Weighted residual factors for all reflections included in the refinement: 0.0564
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No