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Information card for entry 2312716
Preview
| Coordinates | 2312716.cif |
|---|---|
| Structure factors | 2312716.hkl |
| Original IUCr paper | HTML |
| Formula | C60 H80 N4 O18 |
|---|---|
| Calculated formula | C60 H80 N4 O18 |
| Title of publication | Structures of hexamethyl-[1,1'-biphenyl]-4,4'-diammonium salts. |
| Authors of publication | Kanthapazham, Rajakumar; Osipov, Artyom A.; Zherebtsov, Dmitry A.; Efremov, Andrey N.; Nayfert, Sergey A.; Adonin, Sergey A.; Spiridonova, Dar'ya V.; Atapin, Sergey V. |
| Journal of publication | Acta crystallographica Section B, Structural science, crystal engineering and materials |
| Year of publication | 2024 |
| Journal volume | 80 |
| Journal issue | 6 |
| Pages of publication | 751 - 759 |
| a | 10.0218 ± 0.0004 Å |
| b | 11.3143 ± 0.0004 Å |
| c | 13.6143 ± 0.0004 Å |
| α | 92.431 ± 0.003° |
| β | 90.386 ± 0.003° |
| γ | 113.564 ± 0.004° |
| Cell volume | 1413.25 ± 0.1 Å3 |
| Cell temperature | 100 ± 0.1 K |
| Ambient diffraction temperature | 100 ± 0.1 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0835 |
| Residual factor for significantly intense reflections | 0.0686 |
| Weighted residual factors for significantly intense reflections | 0.1999 |
| Weighted residual factors for all reflections included in the refinement | 0.21 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.127 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 296757 (current) | 2024-12-07 | cif/ Updating files of 2312709, 2312710, 2312711, 2312712, 2312713, 2312714, 2312715, 2312716, 2312717 Original log message: Adding full bibliography for 2312709--2312717.cif. |
2312716.cif 2312716.hkl |
| 296196 | 2024-12-03 | cif/ hkl/ Adding structures of 2312709, 2312710, 2312711, 2312712, 2312713, 2312714, 2312715, 2312716, 2312717 via cif-deposit CGI script. |
2312716.cif 2312716.hkl |
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Users of the data should acknowledge the original authors of the
structural data.