Information card for entry 1529420

Structure parameters

• Formula: C21 H23 Cl F2 N2 O
• Calculated formula: C21 H23 Cl F2 N2 O
• SMILES: Clc1ccc(N2CCc3ccccc3C2C(F)(F)C(=O)N(CC)CC)cc1
• Title of publication: Transition-Metal-Free Dehydrosilylative Difluoroamidation of Tetrahydroisoquinolines under Mild Conditions.
• Authors of publication: Chen, Qiao; Zhou, Jiawei; Wang, Yanan; Wang, Chao; Liu, Xihong; Xu, Zhaoqing; Lin, Li; Wang, Rui
• Journal of publication: Organic letters
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 17
• Pages of publication: 4212 - 4215
• a: 13.1195 ± 0.0009 Å
• b: 25.1207 ± 0.0017 Å
• c: 6.0786 ± 0.0004 Å
• α: 90°
• β: 103.299 ± 0.007°
• γ: 90°
• Cell volume: 1949.6 ± 0.2 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 6
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0519
• Residual factor for significantly intense reflections: 0.0412
• Weighted residual factors for significantly intense reflections: 0.0815
• Weighted residual factors for all reflections included in the refinement: 0.0889
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No