Information card for entry 7059514

Structure parameters

• Formula: C72 H52 O16 S2
• Calculated formula: C72 H52 O16 S2
• 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: 13.7724 ± 0.0013 Å
• b: 15.3172 ± 0.0015 Å
• c: 15.8809 ± 0.0015 Å
• α: 80.591 ± 0.002°
• β: 65.912 ± 0.002°
• γ: 82.455 ± 0.002°
• Cell volume: 3009.5 ± 0.5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0599
• Residual factor for significantly intense reflections: 0.0397
• Weighted residual factors for significantly intense reflections: 0.0907
• Weighted residual factors for all reflections included in the refinement: 0.1022
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No