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Information card for entry 7203248
Preview
| Coordinates | 7203248.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | 4-(1',3'-oxyl-4',4',5',5'-tetramethyl-imidazolin-2'-yl)- benzoic acid 3,5-bis-(1'',3''-oxyl-4'',4'',5'',5''-tetramethyl- imidazolin-2''-yl)-phenyl ester |
|---|---|
| Chemical name | 4-(1',3'-oxyl-4',4',5',5'-tetramethyl-imidazolin-2'-yl)-benzoic acid 3,5-bis- (1'',3''-oxyl-4'',4'',5'',5''-tetramethyl-imidazolin-2''-yl)-phenyl ester |
| Formula | C34.5 H44 Cl N6 O8 |
| Calculated formula | C34.5 H43 Cl N6 O8 |
| Title of publication | Clustering of molecular spins in the crystals of nitronylnitroxide and iminonitroxide triradicals based on benzene-1,3,5-triyl frameworks |
| Authors of publication | Kanzaki, Yuki; Shiomi, Daisuke; Kaneda, Chika; Ise, Tomoaki; Sato, Kazunobu; Takui, Takeji |
| Journal of publication | Journal of Materials Chemistry |
| Year of publication | 2006 |
| Journal volume | 16 |
| Journal issue | 21 |
| Pages of publication | 2064 |
| a | 11.39 ± 0.001 Å |
| b | 12.091 ± 0.002 Å |
| c | 14.386 ± 0.003 Å |
| α | 74.85 ± 0.02° |
| β | 78.45 ± 0.02° |
| γ | 68.7 ± 0.02° |
| Cell volume | 1769.5 ± 0.6 Å3 |
| Cell temperature | 173.1 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for significantly intense reflections | 0.072 |
| Weighted residual factors for all reflections included in the refinement | 0.219 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1 |
| Diffraction radiation wavelength | 0.7107 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. |
7203248.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7203248.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7203248.cif |
| 1504 | 2010-09-08 | cif/7/ Adding data extracted from RSC 2005 and 2006 year publications. |
7203248.cif |
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Users of the data should acknowledge the original authors of the
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