Information card for entry 8104905

Structure parameters

• Common name: <i>para</i>-bromo benzaldehyde
• Chemical name: 4-bromo benzaldehyde
• Formula: C7 H5 Br O
• Calculated formula: C7 H5 Br O
• Title of publication: Crystal structure of 4-bromobenzaldehyde – complete redetermination at 200 K, C7H5BrO
• Authors of publication: Ndima, Lubabalo; Cuthbertson, Jarryd; Hosten, Eric C.; Betz, Richard
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2021
• Journal volume: 236
• Journal issue: 1
• Pages of publication: 143 - 145
• a: 27.3992 ± 0.0018 Å
• b: 3.9369 ± 0.0002 Å
• c: 12.8006 ± 0.0008 Å
• α: 90°
• β: 103.504 ± 0.002°
• γ: 90°
• Cell volume: 1342.6 ± 0.14 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0695
• Residual factor for significantly intense reflections: 0.0469
• Weighted residual factors for significantly intense reflections: 0.1034
• Weighted residual factors for all reflections included in the refinement: 0.1103
• Goodness-of-fit parameter for all reflections included in the refinement: 1.179
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No