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Information card for entry 7124984
Preview
| Coordinates | 7124984.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C12.2 H11.5 N2.7 O5.4 |
|---|---|
| Calculated formula | C8 H8 N2 O4 |
| Title of publication | Trimeric cyclamers: solution aggregation and high Z' crystals based on guest structure and basicity. |
| Authors of publication | Kennedy, Stuart R.; Miquelot, Adeline; Aguilar, Juan A.; Steed, Jonathan W. |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2016 |
| Journal volume | 52 |
| Journal issue | 79 |
| Pages of publication | 11846 - 11849 |
| a | 17.707 ± 0.003 Å |
| b | 17.707 ± 0.003 Å |
| c | 7.3732 ± 0.001 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2311.8 ± 0.6 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 114 |
| Hermann-Mauguin space group symbol | P -4 21 c |
| Hall space group symbol | P -4 2n |
| Residual factor for all reflections | 0.079 |
| Residual factor for significantly intense reflections | 0.0749 |
| Weighted residual factors for significantly intense reflections | 0.1999 |
| Weighted residual factors for all reflections included in the refinement | 0.2027 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.03 |
| Diffraction radiation wavelength | 0.6889 Å |
| Diffraction radiation type | Synchrotron |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 234408 (current) | 2019-11-23 | cif/ Adding structures of 7124980, 7124981, 7124982, 7124983, 7124984, 7124985, 7124986 via cif-deposit CGI script. |
7124984.cif |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.