Information card for entry 2216296

Structure parameters

• Chemical name: (2E)-3-(2-Chlorophenyl)-1-phenylprop-2-en-1-one
• Formula: C15 H11 Cl O
• Calculated formula: C15 H11 Cl O
• SMILES: Clc1c(/C=C/C(=O)c2ccccc2)cccc1
• Title of publication: (2<i>E</i>)-3-(2-Chlorophenyl)-1-phenylprop-2-en-1-one
• Authors of publication: Jasinski, Jerry P.; Butcher, Ray J.; Lakshmana, K.; Narayana, B.; Yathirajan, H. S.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 12
• Pages of publication: o4715 - o4715
• a: 19.0061 ± 0.0007 Å
• b: 5.0646 ± 0.0003 Å
• c: 12.6534 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1217.99 ± 0.09 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 4
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0644
• Residual factor for significantly intense reflections: 0.036
• Weighted residual factors for significantly intense reflections: 0.0798
• Weighted residual factors for all reflections included in the refinement: 0.0865
• Goodness-of-fit parameter for all reflections included in the refinement: 0.956
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes