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Information card for entry 7238228
Preview
| Coordinates | 7238228.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C12 H20 N2 O2 |
|---|---|
| Calculated formula | C12 H20 N2 O2 |
| Title of publication | Supramolecular arrangements based on cyclohexane-5-spirohydantoin derivatives |
| Authors of publication | Graus, Sara; Casabona, Diego; Uriel, Santiago; Cativiela, Carlos; Serrano, José Luis |
| Journal of publication | CrystEngComm |
| Year of publication | 2010 |
| Journal volume | 12 |
| Journal issue | 10 |
| Pages of publication | 3132 |
| a | 6.169 ± 0.002 Å |
| b | 6.177 ± 0.002 Å |
| c | 17.569 ± 0.009 Å |
| α | 84.46 ± 0.04° |
| β | 86.65 ± 0.04° |
| γ | 66.44 ± 0.02° |
| Cell volume | 610.7 ± 0.4 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.148 |
| Residual factor for significantly intense reflections | 0.0773 |
| Weighted residual factors for significantly intense reflections | 0.2293 |
| Weighted residual factors for all reflections included in the refinement | 0.2554 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.007 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 244092 (current) | 2019-11-28 | cif/ Adding structures of 7238226, 7238227, 7238228, 7238229 via cif-deposit CGI script. |
7238228.cif |
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Users of the data should acknowledge the original authors of the
structural data.