Information card for entry 4107549

Structure parameters

• Formula: C18 H23 N O2 S
• Calculated formula: C18 H23 N O2 S
• SMILES: S(=O)(=O)(N1CC2=C(C3CCC2(C1)CC3)C)c1ccc(cc1)C
• Title of publication: Enantioselective Syntheses of Various Chiral Multicyclic Compounds with Quaternary Carbon Stereocenters by Catalytic Intramolecular Cycloaddition
• Authors of publication: Takanori Shibata; Yu-ki Tahara; Kohei Tamura; Kohei Endo
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2008
• Journal volume: 130
• Pages of publication: 3451 - 3457
• a: 7.4797 ± 0.0004 Å
• b: 11.3176 ± 0.0005 Å
• c: 19.4469 ± 0.0008 Å
• α: 90°
• β: 102.229 ± 0.003°
• γ: 90°
• Cell volume: 1608.87 ± 0.13 ų
• Cell temperature: 296.1 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.0647
• Weighted residual factors for all reflections included in the refinement: 0.1599
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No