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Information card for entry 7121427
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| Coordinates | 7121427.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | BS-II-U-5 (urea)2, citric acid |
|---|---|
| Formula | C8 H16 N4 O9 |
| Calculated formula | C8 H16 N4 O9 |
| Title of publication | Modulating the physical properties of solid forms of urea using co-crystallization technology. |
| Authors of publication | Sandhu, Bhupinder; Sinha, Abhijeet S.; Desper, John; Aakeröy, Christer B |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2018 |
| Journal volume | 54 |
| Journal issue | 37 |
| Pages of publication | 4657 - 4660 |
| a | 6.5395 ± 0.0005 Å |
| b | 6.7758 ± 0.0005 Å |
| c | 15.2596 ± 0.0011 Å |
| α | 81.525 ± 0.002° |
| β | 85.861 ± 0.002° |
| γ | 74.23 ± 0.002° |
| Cell volume | 643.24 ± 0.08 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0391 |
| Residual factor for significantly intense reflections | 0.035 |
| Weighted residual factors for significantly intense reflections | 0.098 |
| Weighted residual factors for all reflections included in the refinement | 0.1013 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.057 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 228034 (current) | 2019-11-17 | cif/ Updating files of 7121425, 7121426, 7121427, 7121428 Original log message: Adding full bibliography for 7121425--7121428.cif. |
7121427.cif |
| 207063 | 2018-03-23 | cif/ Adding structures of 7121425, 7121426, 7121427, 7121428 via cif-deposit CGI script. |
7121427.cif |
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Users of the data should acknowledge the original authors of the
structural data.