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Information card for entry 7244519
Preview
| Coordinates | 7244519.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C30 H18 N6 O10 |
|---|---|
| Calculated formula | C30 H18 N6 O10 |
| SMILES | O=c1[nH]cc(N(=O)=O)cc1N(=O)=O.O=c1[nH]cc(N(=O)=O)cc1N(=O)=O.c12cccc3cccc(c13)c1cccc3cccc2c13 |
| Title of publication | Control of supramolecular chirality in co-crystals of achiral molecules via stacking interactions and hydrogen bonding |
| Authors of publication | Fedyanin, Ivan V. |
| Journal of publication | CrystEngComm |
| Year of publication | 2022 |
| a | 13.6099 ± 0.0008 Å |
| b | 8.6026 ± 0.0005 Å |
| c | 21.6767 ± 0.0013 Å |
| α | 90° |
| β | 90.44 ± 0.003° |
| γ | 90° |
| Cell volume | 2537.8 ± 0.3 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0569 |
| Residual factor for significantly intense reflections | 0.0546 |
| Weighted residual factors for significantly intense reflections | 0.1385 |
| Weighted residual factors for all reflections included in the refinement | 0.1398 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.075 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 273148 (current) | 2022-02-25 | cif/ Adding structures of 7244513, 7244514, 7244515, 7244516, 7244517, 7244518, 7244519 via cif-deposit CGI script. |
7244519.cif |
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Users of the data should acknowledge the original authors of the
structural data.