Information card for entry 1516660

Structure parameters

• Formula: C28 H27 N O3 S
• Calculated formula: C28 H27 N O3 S
• SMILES: S(=O)(=O)(N1CC(=C(C)/c2ccccc2C(=O)c2ccccc2)/C(=C/C)C1)c1ccc(cc1)C
• Title of publication: Rh-catalyzed cyclization of diynes and enynes initiated by carbonyl-directed activation of aromatic and vinylic C-H bonds.
• Authors of publication: Tsuchikama, Kyoji; Kuwata, Yusuke; Tahara, Yu-ki; Yoshinami, Yusuke; Shibata, Takanori
• Journal of publication: Organic letters
• Year of publication: 2007
• Journal volume: 9
• Journal issue: 16
• Pages of publication: 3097 - 3099
• a: 11.1671 ± 0.0006 Å
• b: 16.1513 ± 0.0009 Å
• c: 13.1889 ± 0.0007 Å
• α: 90°
• β: 95.155 ± 0.0017°
• γ: 90°
• Cell volume: 2369.2 ± 0.2 ų
• Cell temperature: 123.1 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: 0.0389
• Weighted residual factors for all reflections included in the refinement: 0.1207
• Goodness-of-fit parameter for all reflections included in the refinement: 0.989
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No