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Information card for entry 7225248
Preview
| Coordinates | 7225248.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | 9,10-Dimethyl-2,3,6,7,14,15-hexa-hydroxytriptycene chloroform solvate |
|---|---|
| Formula | C24.15 H20.15 Cl6.44 O6 |
| Calculated formula | C23 H19 Cl3 O6 |
| Title of publication | Highly porous hydrogen-bond networks from a triptycene-based catechol |
| Authors of publication | Greatorex, Sam; Halcrow, Malcolm A. |
| Journal of publication | CrystEngComm |
| Year of publication | 2016 |
| Journal volume | 18 |
| Journal issue | 25 |
| Pages of publication | 4695 |
| a | 23.2178 ± 0.0016 Å |
| b | 25.566 ± 0.002 Å |
| c | 10.7276 ± 0.0007 Å |
| α | 90° |
| β | 116.349 ± 0.006° |
| γ | 90° |
| Cell volume | 5706.2 ± 0.8 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.1144 |
| Residual factor for significantly intense reflections | 0.0868 |
| Weighted residual factors for significantly intense reflections | 0.2545 |
| Weighted residual factors for all reflections included in the refinement | 0.2839 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.046 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 185207 (current) | 2016-08-07 | cif/ Updating files of 7225245, 7225246, 7225247, 7225248, 7225249, 7225250, 7225251 Original log message: Adding full bibliography for 7225245--7225251.cif. |
7225248.cif |
| 182977 | 2016-05-17 | cif/ Adding structures of 7225245, 7225246, 7225247, 7225248, 7225249, 7225250, 7225251 via cif-deposit CGI script. |
7225248.cif |
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Users of the data should acknowledge the original authors of the
structural data.