Information card for entry 8107228

Structure parameters

• Formula: C25 H23 Br O2
• Calculated formula: C25 H23 Br O2
• Title of publication: The crystal structure of 3-(2-bromophenyl)-1,5-di-p-tolylpentane-1,5-dione, C25H23BrO2
• Authors of publication: Liu, Wanxing; Dai, Yifan; Shen, Guodong
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2022
• Journal volume: 237
• Journal issue: 5
• Pages of publication: 829 - 831
• a: 9.6229 ± 0.0007 Å
• b: 21.7953 ± 0.0016 Å
• c: 10.9104 ± 0.0006 Å
• α: 90°
• β: 109.33 ± 0.007°
• γ: 90°
• Cell volume: 2159.3 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0822
• Residual factor for significantly intense reflections: 0.0499
• Weighted residual factors for significantly intense reflections: 0.1155
• Weighted residual factors for all reflections included in the refinement: 0.1385
• Goodness-of-fit parameter for all reflections included in the refinement: 0.971
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No