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Information card for entry 7201716
Preview
| Coordinates | 7201716.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C46 H32 Br2 Cl2 N2 S |
|---|---|
| Calculated formula | C46 H32 Br2 Cl2 N2 S |
| Title of publication | The Janus-like behaviour of sulfur in substituted diquinoline inclusion crystal structures |
| Authors of publication | Alshahateet, Solhe F.; Bishop, Roger; Craig, Donald C.; Kooli, Fethi; Scudder, Marcia L. |
| Journal of publication | CrystEngComm |
| Year of publication | 2008 |
| Journal volume | 10 |
| Journal issue | 3 |
| Pages of publication | 297 |
| a | 10.001 ± 0.006 Å |
| b | 10.437 ± 0.005 Å |
| c | 20.029 ± 0.008 Å |
| α | 78.18 ± 0.03° |
| β | 77.99 ± 0.03° |
| γ | 83.9 ± 0.02° |
| Cell volume | 1997.1 ± 1.8 Å3 |
| Cell temperature | 294 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for significantly intense reflections | 0.059 |
| Weighted residual factors for all reflections included in the refinement | 0.075 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.63 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176453 (current) | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7. |
7201716.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7201716.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7201716.cif |
| 1173 | 2010-05-16 | cif/7/: adding data from Dalton-Trans-2008, New-J-Chem-2008, Org-Biomol-Chem-2008 and RSC-2008 processing. | 7201716.cif |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.