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Information card for entry 7059014
Preview
| Coordinates | 7059014.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C35 H54 N12 O13 S3 |
|---|---|
| Calculated formula | C35 H54 N12 O13 S3 |
| Title of publication | Synthesis of Energetic Salts Containing Three Heterocyclic Anions by One-Pot Condensation Reaction |
| Authors of publication | Peng, Panpan; Hu, Baoping; Lu, Feipeng; Du, Yao; Zhao, Chaofeng; Su, Hui; zhang, pengcheng; Li, Sheng-Hua; Pang, Si-Ping |
| Journal of publication | New Journal of Chemistry |
| Year of publication | 2019 |
| a | 9.1319 ± 0.0005 Å |
| b | 16.1033 ± 0.0009 Å |
| c | 16.1653 ± 0.001 Å |
| α | 90.977 ± 0.002° |
| β | 103.848 ± 0.002° |
| γ | 95.964 ± 0.002° |
| Cell volume | 2293.4 ± 0.2 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1284 |
| Residual factor for significantly intense reflections | 0.069 |
| Weighted residual factors for significantly intense reflections | 0.1184 |
| Weighted residual factors for all reflections included in the refinement | 0.1364 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.035 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 223442 (current) | 2019-11-07 | cif/ Adding structures of 7059014 via cif-deposit CGI script. |
7059014.cif |
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Users of the data should acknowledge the original authors of the
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