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Information card for entry 4032379
Preview
Coordinates | 4032379.cif |
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Original paper (by DOI) | HTML |
Formula | C15 H10 F3 N O2 |
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Calculated formula | C15 H10 F3 N O2 |
SMILES | N1(OC)C(=O)c2ccccc2c2ccc(cc12)C(F)(F)F |
Title of publication | Iodobenzene-Catalyzed Synthesis of Phenanthridinones via Oxidative C-H Amidation. |
Authors of publication | Liang, Dongdong; Yu, Wenbo; Nguyen, Nam; Deschamps, Jeffrey R.; Imler, Gregory H.; Li, Yue; MacKerell, Jr, Alexander D; Jiang, Chao; Xue, Fengtian |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2017 |
Journal volume | 82 |
Journal issue | 7 |
Pages of publication | 3589 - 3596 |
a | 8.0964 ± 0.0011 Å |
b | 23.977 ± 0.003 Å |
c | 7.0192 ± 0.0008 Å |
α | 90° |
β | 114.33 ± 0.007° |
γ | 90° |
Cell volume | 1241.6 ± 0.3 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 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 | 0.1464 |
Residual factor for significantly intense reflections | 0.0819 |
Weighted residual factors for significantly intense reflections | 0.212 |
Weighted residual factors for all reflections included in the refinement | 0.2546 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.033 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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