Information card for entry 7058039

Structure parameters

• Formula: C12 H10 O2 S
• Calculated formula: C12 H10 O2 S
• Title of publication: An efficient heterogeneous copper fluorapatite (CuFAP)-catalysed oxidative synthesis of diaryl sulfone under mild ligand- and base-free conditions
• Authors of publication: Kamble, Rohit B.; Chavan, Santosh S.; Suryavanshi, Gurunath
• Journal of publication: New Journal of Chemistry
• Year of publication: 2019
• Journal volume: 43
• Journal issue: 3
• Pages of publication: 1632
• a: 11.272 ± 0.005 Å
• b: 7.645 ± 0.006 Å
• c: 12.12 ± 0.008 Å
• α: 90°
• β: 96.36 ± 0.03°
• γ: 90°
• Cell volume: 1038 ± 1.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• 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: 0.0475
• Residual factor for significantly intense reflections: 0.0391
• Weighted residual factors for significantly intense reflections: 0.0954
• Weighted residual factors for all reflections included in the refinement: 0.1028
• Goodness-of-fit parameter for all reflections included in the refinement: 1.115
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No