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Information card for entry 7052635
Preview
| Coordinates | 7052635.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider; PubChem |
| Formula | C30 H20 O2 S6 |
|---|---|
| Calculated formula | C30 H20 O2 S6 |
| SMILES | S1C(SC2=C1SCCS2)=C1SC2=C(S1)COc1ccc3ccccc3c1c1c3ccccc3ccc1OC2 |
| Title of publication | A binaphthol-substituted tetrathiafulvalene with axial chirality and its enantiopure TCNQF4 charge-transfer salts |
| Authors of publication | Saad, Ali; Jeannin, Olivier; Fourmigué, Marc |
| Journal of publication | New Journal of Chemistry |
| Year of publication | 2011 |
| Journal volume | 35 |
| Journal issue | 5 |
| Pages of publication | 1004 |
| a | 16.0832 ± 0.0006 Å |
| b | 9.0468 ± 0.0003 Å |
| c | 18.4128 ± 0.0006 Å |
| α | 90° |
| β | 99.842 ± 0.002° |
| γ | 90° |
| Cell volume | 2639.66 ± 0.16 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 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 | 0.0686 |
| Residual factor for significantly intense reflections | 0.0441 |
| Weighted residual factors for significantly intense reflections | 0.111 |
| Weighted residual factors for all reflections included in the refinement | 0.1401 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.102 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301851 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/05/ Each referenced PubChem compound corresponds to the full crystal structure. |
7052635.cif |
| 202017 | 2017-10-14 | cif/ Marking COD entries in range 7 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
7052635.cif |
| 180080 | 2016-03-26 | cif/7/05/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/05/26. |
7052635.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7052635.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7052635.cif |
| 21418 | 2011-06-22 | ../uploads/cif-deposit/cod/cif Adding structures of 7052632, 7052633, 7052634, 7052635 via cif-deposit CGI script. |
7052635.cif |
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Users of the data should acknowledge the original authors of the
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