Information card for entry 7225953

Structure parameters

• Formula: C23 H25 N2 O5 P
• Calculated formula: C23 H25 N2 O5 P
• 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: 14.067 ± 0.003 Å
• b: 17.217 ± 0.003 Å
• c: 18.001 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4359.7 ± 1.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1314
• Residual factor for significantly intense reflections: 0.0992
• Weighted residual factors for significantly intense reflections: 0.2308
• Weighted residual factors for all reflections included in the refinement: 0.2509
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No