Information card for entry 4033129

Structure parameters

• Formula: C24 H22 O4 S
• Calculated formula: C24 H22 O4 S
• SMILES: [C@]1(C(=Cc2ccccc2O1)S(=O)(=O)c1ccc(cc1)C(C)C)(c1ccccc1)O
• Title of publication: Synthesis of 2-Aryl-3-sulfonylchromans via Knoevenagel Condensation and Reduction Protocol.
• Authors of publication: Chang, Meng-Yang; Chen, Han-Yu; Chen, Yu-Hsin
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2017
• Journal volume: 82
• Journal issue: 23
• Pages of publication: 12631 - 12639
• a: 9.3081 ± 0.0005 Å
• b: 10.4852 ± 0.0005 Å
• c: 11.7136 ± 0.0006 Å
• α: 73.869 ± 0.002°
• β: 81.276 ± 0.002°
• γ: 68.067 ± 0.002°
• Cell volume: 1017.25 ± 0.09 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0442
• Residual factor for significantly intense reflections: 0.0434
• Weighted residual factors for significantly intense reflections: 0.1219
• Weighted residual factors for all reflections included in the refinement: 0.1229
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No