Information card for entry 7129333

Structure parameters

• Formula: C28 H22 N2 O4 S
• Calculated formula: C28 H22 N2 O4 S
• SMILES: S(CC1(c2ccccc2)c2cc(ccc2N=C(c2ccc(cc2)N(=O)=O)O1)OC)c1ccccc1
• Title of publication: Catalytic Enantioselective Oxysulfenylation of o-Vinylanilides
• Authors of publication: Kesavan, Arunachalam; Anbarasan, Pazhamalai
• Journal of publication: Chemical Communications
• Year of publication: 2021
• a: 10.207 ± 0.0006 Å
• b: 16.4841 ± 0.001 Å
• c: 7.1404 ± 0.0004 Å
• α: 90°
• β: 95.493 ± 0.002°
• γ: 90°
• Cell volume: 1195.88 ± 0.12 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 c 1
• Hall space group symbol: P -2yc
• Residual factor for all reflections: 0.0455
• Residual factor for significantly intense reflections: 0.0401
• Weighted residual factors for significantly intense reflections: 0.0986
• Weighted residual factors for all reflections included in the refinement: 0.1023
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No