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Information card for entry 1545958
Preview
Coordinates | 1545958.cif |
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Original paper (by DOI) | HTML |
Formula | C23 H13 F3 N2 O |
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Calculated formula | C23 H13 F3 N2 O |
SMILES | O=C1N(c2cccc3c2nccc3)c2c(c3c1cc(cc3)C(F)(F)F)cccc2 |
Title of publication | Copper-Catalyzed Selective ortho-C-H/N-H Annulation of Benzamides with Arynes: Synthesis of Phenanthridinone Alkaloids. |
Authors of publication | Zhang, Ting-Yu; Lin, Jun-Bing; Li, Quan-Zhe; Kang, Jun-Chen; Pan, Jin-Long; Hou, Si-Hua; Chen, Chao; Zhang, Shu-Yu |
Journal of publication | Organic letters |
Year of publication | 2017 |
Journal volume | 19 |
Journal issue | 7 |
Pages of publication | 1764 - 1767 |
a | 7.6208 ± 0.0003 Å |
b | 21.2775 ± 0.0007 Å |
c | 11.1815 ± 0.0004 Å |
α | 90° |
β | 105.554 ± 0.002° |
γ | 90° |
Cell volume | 1746.7 ± 0.11 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 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 | 0.0533 |
Residual factor for significantly intense reflections | 0.0471 |
Weighted residual factors for significantly intense reflections | 0.1264 |
Weighted residual factors for all reflections included in the refinement | 0.1325 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.02 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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