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Information card for entry 1508102
Preview
| Coordinates | 1508102.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C106 H117 F24 N7 O16 P4 S8 |
|---|---|
| Calculated formula | C106 H117 F24 N7 O16 P4 S8 |
| Title of publication | Highly stable tetrathiafulvalene radical dimers in [3]catenanes. |
| Authors of publication | Spruell, Jason M.; Coskun, Ali; Friedman, Douglas C.; Forgan, Ross S.; Sarjeant, Amy A.; Trabolsi, Ali; Fahrenbach, Albert C.; Barin, Gokhan; Paxton, Walter F.; Dey, Sanjeev K.; Olson, Mark A.; Benítez, Diego; Tkatchouk, Ekaterina; Colvin, Michael T.; Carmielli, Raanan; Caldwell, Stuart T.; Rosair, Georgina M.; Hewage, Shanika Gunatilaka; Duclairoir, Florence; Seymour, Jennifer L.; Slawin, Alexandra M. Z.; Goddard, 3rd, William A; Wasielewski, Michael R.; Cooke, Graeme; Stoddart, J. Fraser |
| Journal of publication | Nature chemistry |
| Year of publication | 2010 |
| Journal volume | 2 |
| Journal issue | 10 |
| Pages of publication | 870 - 879 |
| a | 11.144 ± 0.004 Å |
| b | 14.355 ± 0.005 Å |
| c | 19.592 ± 0.008 Å |
| α | 86.784 ± 0.013° |
| β | 87.155 ± 0.015° |
| γ | 75.382 ± 0.013° |
| Cell volume | 3026 ± 2 Å3 |
| Cell temperature | 93 ± 2 K |
| Ambient diffraction temperature | 93 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.2382 |
| Residual factor for significantly intense reflections | 0.1986 |
| Weighted residual factors for significantly intense reflections | 0.4989 |
| Weighted residual factors for all reflections included in the refinement | 0.5256 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.804 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176729 (current) | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1. |
1508102.cif |
| 120071 | 2014-07-11 | Adding DOIs to range 1 structures. | 1508102.cif |
| 62648 | 2012-07-09 | cif/ Adding structures of 1508102 via cif-deposit CGI script. |
1508102.cif |
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Users of the data should acknowledge the original authors of the
structural data.