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Information card for entry 7232100
Preview
| Coordinates | 7232100.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | 2 |
|---|---|
| Formula | C34 H34 Br2 O4 |
| Calculated formula | C34 H34 Br2 O4 |
| Title of publication | A self-assembled nanotube supported by halogen bonding interactions |
| Authors of publication | Kennedy, Stuart R.; Main, Mawgan U.; Pulham, Colin R.; Ling, Irene; Dalgarno, Scott J. |
| Journal of publication | CrystEngComm |
| Year of publication | 2019 |
| Journal volume | 21 |
| Journal issue | 5 |
| Pages of publication | 786 |
| a | 37.3853 ± 0.0007 Å |
| b | 37.3853 ± 0.0007 Å |
| c | 11.2109 ± 0.0002 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 13569.8 ± 0.4 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120.01 ± 0.1 K |
| Number of distinct elements | 4 |
| Space group number | 148 |
| Hermann-Mauguin space group symbol | R -3 :H |
| Hall space group symbol | -R 3 |
| Residual factor for all reflections | 0.0876 |
| Residual factor for significantly intense reflections | 0.0523 |
| Weighted residual factors for significantly intense reflections | 0.1054 |
| Weighted residual factors for all reflections included in the refinement | 0.1164 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.088 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301866 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 7/23/ Each referenced PubChem compound corresponds to the full crystal structure. |
7232100.cif |
| 223550 | 2019-11-07 | cif/ Updating files of 7232100 Original log message: Adding full bibliography for 7232100.cif. |
7232100.cif |
| 212926 | 2019-01-11 | cif/ Adding structures of 7232100 via cif-deposit CGI script. |
7232100.cif |
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Users of the data should acknowledge the original authors of the
structural data.