Information card for entry 8107715

Structure parameters

• Common name: p-bromophenacyl bromide
• Formula: C8 H6 Br2 O
• Calculated formula: C8 H6 Br2 O
• Title of publication: Redetermination of the crystal structure of p-bromophenacyl bromide at 200 K – Localization of hydrogen atoms, C8H6Br2O
• Authors of publication: Hosten, Eric C.; Betz, Richard
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2015
• Journal volume: 230
• Journal issue: 2
• Pages of publication: 59 - 60
• a: 4.0853 ± 0.0002 Å
• b: 9.6025 ± 0.0004 Å
• c: 21.989 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 862.61 ± 0.07 ų
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for significantly intense reflections: 0.0208
• Weighted residual factors for significantly intense reflections: 0.0492
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No