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Information card for entry 7125213
Preview
| Coordinates | 7125213.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | VCINA |
|---|---|
| Formula | C12 H14 N2 O7 |
| Calculated formula | C12 H14 N2 O7 |
| Title of publication | pH-Switchable vitamin B<sub>9</sub> gels for stoichiometry-controlled spherical co-crystallization. |
| Authors of publication | Wang, Jian-Rong; Bao, Junjie; Fan, Xiaowu; Dai, Wenjuan; Mei, Xuefeng |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2016 |
| Journal volume | 52 |
| Journal issue | 92 |
| Pages of publication | 13452 - 13455 |
| a | 5.8274 ± 0.0002 Å |
| b | 9.9168 ± 0.0003 Å |
| c | 23.1227 ± 0.0008 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1336.24 ± 0.08 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0504 |
| Residual factor for significantly intense reflections | 0.0337 |
| Weighted residual factors for significantly intense reflections | 0.0654 |
| Weighted residual factors for all reflections included in the refinement | 0.071 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.021 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301860 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/12/ Each referenced PubChem compound corresponds to the full crystal structure. |
7125213.cif |
| 234605 | 2019-11-23 | cif/ Adding structures of 7125213, 7125214, 7125215, 7125216, 7125217, 7125218 via cif-deposit CGI script. |
7125213.cif |
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Users of the data should acknowledge the original authors of the
structural data.