Information card for entry 2212957

Structure parameters

• Chemical name: 3-(4-Chlorophenyl)-1-(3,4-dimethoxyphenyl) prop-2-en-1-one
• Formula: C17 H15 Cl O3
• Calculated formula: C17 H15 Cl O3
• SMILES: Clc1ccc(cc1)/C=C/C(=O)c1cc(OC)c(OC)cc1
• Title of publication: 3-(4-Chlorophenyl)-1-(3,4-dimethoxyphenyl)prop-2-en-1-one
• Authors of publication: Jeannie Bee-Jan Teh; P. S. Patil; Hoong-Kun Fun; Ibrahim Abdul Razak; S. M. Dharmaprakash
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 4
• Pages of publication: o1783 - o1784
• a: 10.7802 ± 0.0002 Å
• b: 10.3307 ± 0.0002 Å
• c: 13.776 ± 0.0003 Å
• α: 90°
• β: 111.223 ± 0.001°
• γ: 90°
• Cell volume: 1430.14 ± 0.05 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 297 ± 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: 0.0591
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for significantly intense reflections: 0.1079
• Weighted residual factors for all reflections included in the refinement: 0.1156
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes