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Information card for entry 4032380
Preview
Coordinates | 4032380.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C14 H9.43 Cl1.58 N O2 |
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Calculated formula | C14 H9.425 Cl1.575 N O2 |
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 | 6.0667 ± 0.0005 Å |
b | 15.3771 ± 0.0013 Å |
c | 13.1958 ± 0.0011 Å |
α | 90° |
β | 93.36 ± 0.003° |
γ | 90° |
Cell volume | 1228.9 ± 0.18 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/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0975 |
Residual factor for significantly intense reflections | 0.0622 |
Weighted residual factors for significantly intense reflections | 0.1241 |
Weighted residual factors for all reflections included in the refinement | 0.1343 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.189 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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The link is: https://www.crystallography.net/4032380.html
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