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Information card for entry 4516542
Preview
| Coordinates | 4516542.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C30 H38 Br1.5 N O4 |
|---|---|
| Calculated formula | C30 H38 Br1.5 N O4 |
| Title of publication | Anion and Cation Effects on Anion-Templated Assembly of Tetrahydroxytriptycene |
| Authors of publication | White, Nicholas G.; MacLachlan, Mark J. |
| Journal of publication | Crystal Growth & Design |
| Year of publication | 2015 |
| Journal volume | 15 |
| Journal issue | 11 |
| Pages of publication | 5629 |
| a | 15.3023 ± 0.0019 Å |
| b | 35.513 ± 0.004 Å |
| c | 12.0386 ± 0.0015 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 6542.1 ± 1.4 Å3 |
| Cell temperature | 90 K |
| Ambient diffraction temperature | 90 K |
| Number of distinct elements | 5 |
| Space group number | 62 |
| Hermann-Mauguin space group symbol | P n m a |
| Hall space group symbol | -P 2ac 2n |
| Residual factor for all reflections | 0.1054 |
| Residual factor for significantly intense reflections | 0.0957 |
| Weighted residual factors for all reflections | 0.204 |
| Weighted residual factors for significantly intense reflections | 0.2004 |
| Weighted residual factors for all reflections included in the refinement | 0.204 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.9539 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 231372 (current) | 2019-11-22 | cif/ Adding structures of 4516542, 4516543, 4516544, 4516545, 4516546, 4516547 via cif-deposit CGI script. |
4516542.cif |
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Users of the data should acknowledge the original authors of the
structural data.