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Information card for entry 7238527
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| Coordinates | 7238527.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | Cytosinium-3,5-dinitrobenzoate trihydrate |
|---|---|
| Formula | C11 H15 N5 O10 |
| Calculated formula | C11 H15 N5 O10 |
| Title of publication | Competition between the two-point and three-point synthon in cytosine‒carboxylic acid complexes |
| Authors of publication | Sridhar, Balasubramanian; Nanubolu, Jagadeesh Babu; Ravikumar, Krishnan |
| Journal of publication | CrystEngComm |
| Year of publication | 2012 |
| Journal volume | 14 |
| Journal issue | 20 |
| Pages of publication | 7065 |
| a | 5.0257 ± 0.0003 Å |
| b | 24.5327 ± 0.0015 Å |
| c | 13.1664 ± 0.0008 Å |
| α | 90° |
| β | 90.462 ± 0.001° |
| γ | 90° |
| Cell volume | 1623.29 ± 0.17 Å3 |
| Cell temperature | 294 ± 2 K |
| Ambient diffraction temperature | 294 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0702 |
| Residual factor for significantly intense reflections | 0.0647 |
| Weighted residual factors for significantly intense reflections | 0.1312 |
| Weighted residual factors for all reflections included in the refinement | 0.1338 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.248 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 244202 (current) | 2019-11-28 | cif/ Adding structures of 7238526, 7238527, 7238528, 7238529 via cif-deposit CGI script. |
7238527.cif |
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Users of the data should acknowledge the original authors of the
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