Information card for entry 2202197

Structure parameters

• Chemical name: 1-(4-Methacryloyloxyphenyl)-3-(3-bromophenyl)prop-2-en-1-one
• Formula: C19 H15 Br O3
• Calculated formula: C19 H15 Br O3
• SMILES: Brc1cc(ccc1)/C=C/C(=O)c1ccc(OC(=O)C(=C)C)cc1
• Title of publication: 1-(4-Methacryloyloxyphenyl)-3-(3-bromophenyl)prop-2-en-1-one
• Authors of publication: T. Ravishankar; K. Chinnakali; S. Nanjundan; S. Radhakrishnan; Anwar Usman; Hoong-Kun Fun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 2
• Pages of publication: o138 - o140
• a: 7.8096 ± 0.0002 Å
• b: 5.6168 ± 0.0002 Å
• c: 37.212 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1632.3 ± 0.08 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 2 K
• Number of distinct elements: 4
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.136
• Residual factor for significantly intense reflections: 0.069
• Weighted residual factors for significantly intense reflections: 0.142
• Weighted residual factors for all reflections included in the refinement: 0.169
• Goodness-of-fit parameter for all reflections included in the refinement: 0.93
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes