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Information card for entry 4032746
Preview
Coordinates | 4032746.cif |
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Original paper (by DOI) | HTML |
Formula | C20 H16 F N3 O |
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Calculated formula | C20 H16 F N3 O |
SMILES | c12cc(ccc1c1cccc3c1c(C(C)(CCC#N)C(=O)N3C)n2)F |
Title of publication | Radical Addition/Insertion/Cyclization Cascade Reaction To Assemble Phenanthridines from N-Arylacrylamide Using Cyano as a Bridge under Photoredox Catalysis. |
Authors of publication | Yu, Yulan; Cai, Zhiqiang; Yuan, Weiwen; Liu, Ping; Sun, Peipei |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2017 |
Journal volume | 82 |
Journal issue | 15 |
Pages of publication | 8148 - 8156 |
a | 7.571 ± 0.002 Å |
b | 18.848 ± 0.006 Å |
c | 12.151 ± 0.004 Å |
α | 90° |
β | 108.266 ± 0.006° |
γ | 90° |
Cell volume | 1646.6 ± 0.9 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 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 | 0.1156 |
Residual factor for significantly intense reflections | 0.0585 |
Weighted residual factors for significantly intense reflections | 0.1414 |
Weighted residual factors for all reflections included in the refinement | 0.1719 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.037 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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