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Information card for entry 7224567
Preview
| Coordinates | 7224567.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | Ofer10 |
|---|---|
| Chemical name | semiaza-glycoluril |
| Formula | C12 H20 F3 N5 O4 S |
| Calculated formula | C12 H20 F3 N5 O4 S |
| Title of publication | Enhanced anion binding by heteroatom replacement in bambusurils. |
| Authors of publication | Solel, Ephrath; Singh, Mandeep; Reany, Ofer; Keinan, Ehud |
| Journal of publication | Physical chemistry chemical physics : PCCP |
| Year of publication | 2016 |
| Journal volume | 18 |
| Journal issue | 19 |
| Pages of publication | 13180 - 13185 |
| a | 6.477 ± 0.0005 Å |
| b | 10.584 ± 0.0011 Å |
| c | 12.778 ± 0.0014 Å |
| α | 85.883 ± 0.005° |
| β | 86.565 ± 0.006° |
| γ | 75.6 ± 0.006° |
| Cell volume | 845.45 ± 0.15 Å3 |
| Cell temperature | 200 ± 2 K |
| Ambient diffraction temperature | 200 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0892 |
| Residual factor for significantly intense reflections | 0.0834 |
| Weighted residual factors for significantly intense reflections | 0.2142 |
| Weighted residual factors for all reflections included in the refinement | 0.224 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.208 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 183796 (current) | 2016-06-18 | cif/ Updating files of 7224567, 7224568 Original log message: Adding full bibliography for 7224567--7224568.cif. |
7224567.cif |
| 178072 | 2016-03-10 | cif/ Adding structures of 7224567, 7224568 via cif-deposit CGI script. |
7224567.cif |
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Users of the data should acknowledge the original authors of the
structural data.