Information card for entry 8107225

Structure parameters

• Formula: C12 H16 Br2
• Calculated formula: C12 H16 Br2
• Title of publication: Crystal structre of 1,4-bis(bromomethyl)-2,3,5,6-tetramethylbenzene, C12H16Br2
• Authors of publication: Song, Wenqi; Zhao, Mingxu; Zhu, Yanfang; Gao, Jianjing; Zhao, Yuzhen
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2022
• Journal volume: 237
• Journal issue: 5
• Pages of publication: 819 - 820
• a: 7.9423 ± 0.0005 Å
• b: 4.4163 ± 0.0003 Å
• c: 16.8127 ± 0.001 Å
• α: 90°
• β: 94.534 ± 0.004°
• γ: 90°
• Cell volume: 587.87 ± 0.06 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 3
• 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: 0.0484
• Residual factor for significantly intense reflections: 0.0376
• Weighted residual factors for significantly intense reflections: 0.0957
• Weighted residual factors for all reflections included in the refinement: 0.1016
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.34139 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No