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Information card for entry 7124986
Preview
| Coordinates | 7124986.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C8 H10 N2 O5 |
|---|---|
| Calculated formula | C8 H10 N2 O5 |
| 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 | 4.5426 ± 0.0019 Å |
| b | 10.729 ± 0.005 Å |
| c | 18.692 ± 0.008 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 911 ± 0.7 Å3 |
| Cell temperature | 153 ± 2 K |
| Ambient diffraction temperature | 153 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0948 |
| Residual factor for significantly intense reflections | 0.0555 |
| Weighted residual factors for significantly intense reflections | 0.1122 |
| Weighted residual factors for all reflections included in the refinement | 0.1259 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.042 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| 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. |
7124986.cif |
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Users of the data should acknowledge the original authors of the
structural data.