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Information card for entry 8106881
Preview
| Coordinates | 8106881.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C15 H16 N2 O4 S |
|---|---|
| Calculated formula | C15 H16 N2 O4 S |
| Title of publication | Crystal structure of succinic acid — 4-((pyridin-4-ylmethyl)sulfanylpyridine (1/1), C15H16N2O4S |
| Authors of publication | Wang, Zhi-Peng; Zhang, Fan; Zhang, Qi-Qi; Sun, Xin-Zhan |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2016 |
| Journal volume | 231 |
| Journal issue | 2 |
| Pages of publication | 383 - 384 |
| a | 7.3024 ± 0.0006 Å |
| b | 10.7115 ± 0.0007 Å |
| c | 11.2743 ± 0.0006 Å |
| α | 109.491 ± 0.005° |
| β | 100.496 ± 0.005° |
| γ | 107.86 ± 0.005° |
| Cell volume | 750.44 ± 0.1 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 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 | 0.1358 |
| Residual factor for significantly intense reflections | 0.0691 |
| Weighted residual factors for significantly intense reflections | 0.1739 |
| Weighted residual factors for all reflections included in the refinement | 0.2136 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.079 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 281738 (current) | 2023-03-08 | cif/ Adding structures of 8106881 via cif-deposit CGI script. |
8106881.cif |
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Users of the data should acknowledge the original authors of the
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