Information card for entry 7221558

Structure parameters

• Formula: C26 H29 N O2 S
• Calculated formula: C26 H29 N O2 S
• SMILES: S(=O)(=O)(NCC1(CCC(c2ccccc12)(C)C)c1ccccc1)c1ccc(cc1)C
• Title of publication: On the understanding of BF3·Et2O-promoted intra- and intermolecular amination and oxygenation of unfunctionalized olefins
• Authors of publication: Yang, Chun-Hua; Fan, Wen-Wen; Liu, Gong-Qing; Duan, Lili; Li, Lin; Li, Yue-Ming
• Journal of publication: RSC Adv.
• Year of publication: 2015
• Journal volume: 5
• Journal issue: 75
• Pages of publication: 61081
• a: 11.089 ± 0.002 Å
• b: 13.375 ± 0.003 Å
• c: 16.281 ± 0.003 Å
• α: 80.22 ± 0.03°
• β: 77.6 ± 0.03°
• γ: 77.15 ± 0.03°
• Cell volume: 2280.3 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0868
• Residual factor for significantly intense reflections: 0.054
• Weighted residual factors for significantly intense reflections: 0.1309
• Weighted residual factors for all reflections included in the refinement: 0.1512
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No