Information card for entry 7222454

Structure parameters

• Chemical name: (3,5-bis(4-chlorophenyl)thiophen-2-yl)(4-chlorophenyl)methanone
• Formula: C23 H13 Cl3 O S
• Calculated formula: C23 H13 Cl3 O S
• SMILES: Clc1ccc(C(=O)c2sc(cc2c2ccc(Cl)cc2)c2ccc(Cl)cc2)cc1
• Title of publication: A Direct Greener Route towards the Synthesis of 2-Aroyl-3,5-diarylthiophenes from 1,5-Diketones
• Authors of publication: Chithiravel, Rengasamy; Rajaguru, Kandasamy; Muthusubramanian, Shanmugam; Bhuvanesh, Nattamai
• Journal of publication: RSC Adv.
• Year of publication: 2015
• a: 7.5101 ± 0.0018 Å
• b: 9.387 ± 0.002 Å
• c: 14.553 ± 0.004 Å
• α: 97.563 ± 0.002°
• β: 92.562 ± 0.002°
• γ: 107.979 ± 0.002°
• Cell volume: 963.4 ± 0.4 ų
• Cell temperature: 110.15 K
• Ambient diffraction temperature: 110.15 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0389
• Residual factor for significantly intense reflections: 0.0343
• Weighted residual factors for significantly intense reflections: 0.0851
• Weighted residual factors for all reflections included in the refinement: 0.0878
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No