Information card for entry 7225954

Structure parameters

• Formula: C19 H23 N2 O5 P
• Calculated formula: C19 H23 N2 O5 P
• SMILES: P(=O)(OCC)(OCC)CC(N1C(=O)c2ccccc2C1=O)(c1[nH]ccc1)C
• Title of publication: Regioselective BF3·Et2O-catalyzed C-H Functionalization of Indoles and Pyrrole with Reaction of α-Diazophosphonates
• Authors of publication: Cai, Yan; Li, Yuming; Zhang, Minxuan; Fu, Jiaxin; Miao, Zhiwei
• Journal of publication: RSC Adv.
• Year of publication: 2016
• a: 12.744 ± 0.003 Å
• b: 7.7256 ± 0.0015 Å
• c: 20.77 ± 0.004 Å
• α: 90°
• β: 109.09 ± 0.03°
• γ: 90°
• Cell volume: 1932.5 ± 0.8 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 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 all reflections: 0.2171
• Residual factor for significantly intense reflections: 0.1972
• Weighted residual factors for significantly intense reflections: 0.5345
• Weighted residual factors for all reflections included in the refinement: 0.5409
• Goodness-of-fit parameter for all reflections included in the refinement: 1.878
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No