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Information card for entry 7220878
Preview
| Coordinates | 7220878.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Chemical name | (1E)-1,2-bis[4-(Bromomethyl)phenyl]-diazene |
|---|---|
| Formula | C14 H12 Br2 N2 |
| Calculated formula | C14 H12 Br2 N2 |
| Title of publication | Thermodynamic parameters of the pedal motion in the crystal structures of two bromomethylated azobenzenes |
| Authors of publication | Vande Velde, Christophe M. L.; Zeller, Matthias; Azov, Vladimir A. |
| Journal of publication | CrystEngComm |
| Year of publication | 2015 |
| Journal volume | 17 |
| Journal issue | 30 |
| Pages of publication | 5751 |
| a | 13.061 ± 0.003 Å |
| b | 4.5482 ± 0.0009 Å |
| c | 11.736 ± 0.002 Å |
| α | 90° |
| β | 102.463 ± 0.003° |
| γ | 90° |
| Cell volume | 680.7 ± 0.2 Å3 |
| Cell temperature | 340 ± 2 K |
| Ambient diffraction temperature | 340 ± 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 | 0.0742 |
| Residual factor for significantly intense reflections | 0.0389 |
| Weighted residual factors for significantly intense reflections | 0.0957 |
| Weighted residual factors for all reflections included in the refinement | 0.1116 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.973 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301865 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/22/ Each referenced PubChem compound corresponds to the full crystal structure. |
7220878.cif |
| 211332 | 2018-10-05 | cif/ Fixing enumeration values for CIF data items _atom_sites_solution_* using cif_fix_values. Data item relocations and exclusion of CIF comment lines might have occurred due to the usage of cif_filter. |
7220878.cif |
| 153097 | 2015-08-08 | cif/ Updating files of 7220863, 7220864, 7220865, 7220866, 7220867, 7220868, 7220869, 7220870, 7220871, 7220872, 7220873, 7220874, 7220875, 7220876, 7220877, 7220878, 7220879 Original log message: Adding full bibliography for 7220863--7220879.cif. |
7220878.cif |
| 139660 | 2015-06-26 | cif/ Adding structures of 7220863, 7220864, 7220865, 7220866, 7220867, 7220868, 7220869, 7220870, 7220871, 7220872, 7220873, 7220874, 7220875, 7220876, 7220877, 7220878, 7220879 via cif-deposit CGI script. |
7220878.cif |
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Users of the data should acknowledge the original authors of the
structural data.