Information card for entry 7225716

Structure parameters

• Common name: 2-Phosphorindoline 2-oxide
• Chemical name: 2-Benzoyl-1-ethoxy-1-oxoazacyclohexano[3,2,1-h,i]phosphorindoline
• Formula: C19 H20 N O3 P
• Calculated formula: C19 H20 N O3 P
• SMILES: [P@]1(=O)(OCC)N2c3c([C@@H]1C(=O)c1ccccc1)cccc3CCC2.[P@@]1(=O)(OCC)N2c3c([C@H]1C(=O)c1ccccc1)cccc3CCC2
• Title of publication: Synthesis of 2-oxophosphorindolines via the copper-catalyzed intramolecular aromatic C-H insertion of diazophosphonamidates
• Authors of publication: Huang, Peipei; Xu, Jiaxi
• Journal of publication: RSC Adv.
• Year of publication: 2016
• a: 20.0597 ± 0.0008 Å
• b: 10.2411 ± 0.0003 Å
• c: 8.0519 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1654.13 ± 0.09 ų
• Cell temperature: 142 K
• Ambient diffraction temperature: 142 K
• Number of distinct elements: 5
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0382
• Residual factor for significantly intense reflections: 0.0343
• Weighted residual factors for significantly intense reflections: 0.0805
• Weighted residual factors for all reflections included in the refinement: 0.0835
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No