Information card for entry 4021392

Structure parameters

• Common name: Compound 14
• Formula: C24 H25 N O3 S
• Calculated formula: C24 H25 N O3 S
• SMILES: S(=O)(=O)(c1ccccc1)[C@H](c1ccccc1)[C@@H](c1ccccc1)CC(=O)N(C)C.S(=O)(=O)(c1ccccc1)[C@@H](c1ccccc1)[C@H](c1ccccc1)CC(=O)N(C)C
• Title of publication: Studies of the Condensation of Sulfones with Ketones and Aldehydes
• Authors of publication: Michael E. Garst; Lloyd J. Dolby; Shervin Esfandiari; Rachel A. Okrent; Alfred A. Avey
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2006
• Journal volume: 71
• Pages of publication: 553 - 556
• a: 19.959 ± 0.003 Å
• b: 9.1373 ± 0.0002 Å
• c: 12.091 ± 0.002 Å
• α: 90°
• β: 110.024 ± 0.009°
• γ: 90°
• Cell volume: 2071.8 ± 0.5 ų
• Cell temperature: 91 ± 2 K
• Ambient diffraction temperature: 91 ± 2 K
• Number of distinct elements: 5
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0399
• Residual factor for significantly intense reflections: 0.0369
• Weighted residual factors for significantly intense reflections: 0.0935
• Weighted residual factors for all reflections included in the refinement: 0.0957
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No