Information card for entry 7059513

Structure parameters

• Formula: C23 H15 Cl O4 S
• Calculated formula: C23 H15 Cl O4 S
• Title of publication: Microwave assisted synthesis of β-keto thioethers and furan derivatives by thiol directed multicomponent reactions
• Authors of publication: Jana, Asim; Bhaumick, Prabhas; Choudhury, Lokman H.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2020
• Journal volume: 44
• Journal issue: 20
• Pages of publication: 8442 - 8453
• a: 8.7831 ± 0.0008 Å
• b: 8.9008 ± 0.0007 Å
• c: 13.3834 ± 0.0012 Å
• α: 99.835 ± 0.002°
• β: 100.128 ± 0.002°
• γ: 106.436 ± 0.002°
• Cell volume: 960.54 ± 0.15 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 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: 0.0505
• Residual factor for significantly intense reflections: 0.0391
• Weighted residual factors for significantly intense reflections: 0.0938
• Weighted residual factors for all reflections included in the refinement: 0.101
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No