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Information card for entry 8106637
Preview
| Coordinates | 8106637.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C10 H15 N3 O2 |
|---|---|
| Calculated formula | C10 H15 N3 O2 |
| SMILES | c1c2c(CN(C2)C(=O)OC(C)(C)C)n[nH]1 |
| Title of publication | The crystal structure of tert-butyl 2,6-dihydropyrrolo[3,4-c]pyrazole-5(4H)-carboxylate, C10H15N3O2 |
| Authors of publication | Wang, Kun-Yan; Yang, Xiao-Li |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2017 |
| Journal volume | 232 |
| Journal issue | 4 |
| Pages of publication | 669 - 670 |
| a | 10.9501 ± 0.0014 Å |
| b | 9.2193 ± 0.0009 Å |
| c | 11.2149 ± 0.0014 Å |
| α | 90° |
| β | 103.648 ± 0.004° |
| γ | 90° |
| Cell volume | 1100.2 ± 0.2 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 4 |
| 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 | 0.0759 |
| Residual factor for significantly intense reflections | 0.0476 |
| Weighted residual factors for significantly intense reflections | 0.0944 |
| Weighted residual factors for all reflections included in the refinement | 0.1054 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.049 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 280701 (current) | 2023-01-31 | cif/ Adding structures of 8106637 via cif-deposit CGI script. |
8106637.cif |
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Users of the data should acknowledge the original authors of the
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