Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7217140
Preview
| Coordinates | 7217140.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C16 H20 F2 N8 O11 S2 |
|---|---|
| Calculated formula | C16 H20 F2 N8 O11 S2 |
| Title of publication | 2 : 1 5-Fluorocytosine‒acesulfame CAB cocrystal and 1 : 1 5-fluorocytosine‒acesulfame salt hydrate with enhanced stability against hydration |
| Authors of publication | Wang, Lin; Wen, Xiaonan; Li, Ping; Wang, Jianming; Yang, Ping; Zhang, Hailu; Deng, Zongwu |
| Journal of publication | CrystEngComm |
| Year of publication | 2014 |
| Journal volume | 16 |
| Journal issue | 36 |
| Pages of publication | 8537 |
| a | 26.3596 ± 0.0011 Å |
| b | 5.8523 ± 0.0003 Å |
| c | 32.3137 ± 0.0011 Å |
| α | 90° |
| β | 105.987 ± 0.004° |
| γ | 90° |
| Cell volume | 4792.1 ± 0.4 Å3 |
| Cell temperature | 240 ± 0.1 K |
| Ambient diffraction temperature | 240 ± 0.1 K |
| Number of distinct elements | 6 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0672 |
| Residual factor for significantly intense reflections | 0.0451 |
| Weighted residual factors for significantly intense reflections | 0.0978 |
| Weighted residual factors for all reflections included in the refinement | 0.1066 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.01 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180502 (current) | 2016-03-26 | cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/71. |
7217140.cif |
| 123413 | 2014-09-08 | cif/ Updating files of 7217140, 7217141 Original log message: Adding full bibliography for 7217140--7217141.cif. |
7217140.cif |
| 120474 | 2014-07-16 | cif/ Adding structures of 7217140, 7217141 via cif-deposit CGI script. |
7217140.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.