Information card for entry 8106383

Structure parameters

• Formula: C23 H27 Br O2
• Calculated formula: C23 H27 Br O2
• Title of publication: Crystal structure of (Z)-2-bromo-3-(3,5-di-tert-butyl-4-hydroxyphenyl)-1-phenylprop-2-en-1-one, C23H27BrO2
• Authors of publication: Khalilov, Ali N.; Asgarova, Ayten R.; Gurbanov, Atash V.; Maharramov, Abel M.; Nagiyev, Farid N.; Brito, Iván
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2018
• Journal volume: 233
• Journal issue: 6
• Pages of publication: 1019 - 1020
• a: 10.32 ± 0.0018 Å
• b: 15.905 ± 0.003 Å
• c: 12.913 ± 0.002 Å
• α: 90°
• β: 97.683 ± 0.004°
• γ: 90°
• Cell volume: 2100.5 ± 0.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.044
• Residual factor for significantly intense reflections: 0.0319
• Weighted residual factors for significantly intense reflections: 0.0809
• Weighted residual factors for all reflections included in the refinement: 0.0872
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No