Information card for entry 2226109

Structure parameters

• Chemical name: (2<i>E</i>,4<i>E</i>)-1-(6-Chloro-2-methyl-4-phenyl-3-quinolyl)- 5-phenylpenta-2,4-dien-1-one
• Formula: C27 H20 Cl N O
• Calculated formula: C27 H20 Cl N O
• SMILES: Clc1ccc2nc(c(c(c2c1)c1ccccc1)C(=O)/C=C/C=C/c1ccccc1)C
• Title of publication: (2<i>E</i>,4<i>E</i>)-1-(6-Chloro-2-methyl-4-phenyl-3-quinolyl)-5-phenylpenta-2,4-dien-1-one
• Authors of publication: Loh, Wan-Sin; Fun, Hoong-Kun; Viji, A. J.; Sarveswari, S.; Vijayakumar, V.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 6
• Pages of publication: o1321
• a: 6.2464 ± 0.0003 Å
• b: 22.5672 ± 0.0011 Å
• c: 15.2748 ± 0.0007 Å
• α: 90°
• β: 94.62 ± 0.001°
• γ: 90°
• Cell volume: 2146.2 ± 0.18 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 5
• 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: 0.0553
• Residual factor for significantly intense reflections: 0.0403
• Weighted residual factors for significantly intense reflections: 0.1039
• Weighted residual factors for all reflections included in the refinement: 0.1157
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes