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Information card for entry 7155593
Preview
| Coordinates | 7155593.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C14 H9.43 Cl1.58 N O2 |
|---|---|
| Calculated formula | C14 H9.425 Cl1.575 N O2 |
| Title of publication | One-Pot Sequential Reaction to 2-Substituted-Phenanthridinones from N‒Methoxybenzamides |
| Authors of publication | Liang, Dongdong; Sersen, Deanna; Yang, Chao; Deschamps, Jeffrey; Imler, Gregory H.; Jiang, Chao; Xue, Fengtian |
| Journal of publication | Org. Biomol. Chem. |
| Year of publication | 2017 |
| 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 |
| Revision | Date | Message | Files |
|---|---|---|---|
| 195775 (current) | 2017-04-26 | cif/ Adding structures of 7155593 via cif-deposit CGI script. |
7155593.cif |
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Users of the data should acknowledge the original authors of the
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