Information card for entry 7129645

Structure parameters

• Chemical name: 9-tosyl-9H-xanthene
• Formula: C20 H16 O3 S
• Calculated formula: C20 H16 O3 S
• SMILES: S(=O)(=O)(C1c2c(Oc3c1cccc3)cccc2)c1ccc(cc1)C
• Title of publication: A Radical-Radical Cross-Coupling Reaction of Xanthene with Sulfonyl Hydrazides: Facile Access to Xanthen-9-sulfone Derivatives
• Authors of publication: Das, Sumit; Roy, Shantonu; Bhowmik, arup; Sarkar, Writhabrata; Mondal, Imtiaj; Mishra, Aniket; Saha, Shubhra Jyoti; Karmakar, Sudip; Deb, Indubhusan
• Journal of publication: Chemical Communications
• Year of publication: 2022
• a: 8.7563 ± 0.001 Å
• b: 5.3376 ± 0.0007 Å
• c: 33.444 ± 0.006 Å
• α: 90°
• β: 94.906 ± 0.004°
• γ: 90°
• Cell volume: 1557.4 ± 0.4 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0402
• Residual factor for significantly intense reflections: 0.04
• Weighted residual factors for significantly intense reflections: 0.1164
• Weighted residual factors for all reflections included in the refinement: 0.1166
• Goodness-of-fit parameter for all reflections included in the refinement: 1.141
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No