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Information card for entry 8106459
Preview
| Coordinates | 8106459.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C10 H9 Cl2 N2 O4 |
|---|---|
| Calculated formula | C10 H9 Cl2 N O4 |
| SMILES | c1(ccc(cc1)N(=O)=O)C1(C(Cl)Cl)OCCO1 |
| Title of publication | Crystal structure of 2-dichloromethyl-2-p-nitrophenyl-1,3-dioxolane, C10H9Cl2NO4 |
| Authors of publication | Qi, Bo-Shu; Sun, Xiao-Nan; Yang, Huan-Huan; Fu, Ying; Ye, Fei |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2017 |
| Journal volume | 232 |
| Journal issue | 1 |
| Pages of publication | 137 - 138 |
| a | 11.151 ± 0.002 Å |
| b | 7.0923 ± 0.0014 Å |
| c | 29.243 ± 0.006 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2312.7 ± 0.8 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.0712 |
| Residual factor for significantly intense reflections | 0.0459 |
| Weighted residual factors for significantly intense reflections | 0.1223 |
| Weighted residual factors for all reflections included in the refinement | 0.1348 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.031 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 280325 (current) | 2023-01-13 | cif/ Adding structures of 8106459 via cif-deposit CGI script. |
8106459.cif |
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