Information card for entry 7221557

Structure parameters

• Chemical name: 2h
• Formula: C19 H29 N O2 S
• Calculated formula: C19 H29 N O2 S
• SMILES: S(=O)(=O)(N1CC2(CC1C(C)C)CCCCC2)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: 9.2889 ± 0.0019 Å
• b: 17.158 ± 0.003 Å
• c: 11.652 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1857.1 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0585
• Residual factor for significantly intense reflections: 0.0441
• Weighted residual factors for significantly intense reflections: 0.0986
• Weighted residual factors for all reflections included in the refinement: 0.1084
• Goodness-of-fit parameter for all reflections included in the refinement: 0.979
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No