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Information card for entry 1518530
Preview
| Coordinates | 1518530.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C152.05 H75.74 Cl2.21 F40 N12 S8 |
|---|---|
| Calculated formula | C152.047 H75.7412 Cl2.208 F40 N12 S8 |
| Title of publication | 5,20-Bis(α-oligothienyl)-substituted [26]hexaphyrins possessing electronic circuits strongly perturbed by meso-oligothienyl substituents |
| Authors of publication | Mori, Hirotaka; Suzuki, Masaaki; Kim, Woojae; Lim, Jong Min; Kim, Dongho; Osuka, Atsuhiro |
| Journal of publication | Chem. Sci. |
| Year of publication | 2015 |
| Journal volume | 6 |
| Journal issue | 3 |
| Pages of publication | 1696 |
| a | 18.9073 ± 0.0016 Å |
| b | 20.7452 ± 0.0006 Å |
| c | 21.091 ± 0.002 Å |
| α | 67.38 ± 0.02° |
| β | 77.21 ± 0.02° |
| γ | 65.257 ± 0.013° |
| Cell volume | 6917.2 ± 1.5 Å3 |
| Cell temperature | 93 ± 2 K |
| Ambient diffraction temperature | 93 ± 2 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 all reflections | 0.0686 |
| Residual factor for significantly intense reflections | 0.0639 |
| Weighted residual factors for significantly intense reflections | 0.1763 |
| Weighted residual factors for all reflections included in the refinement | 0.1805 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.042 |
| Diffraction radiation wavelength | 1.54187 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| 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. |
1518530.cif |
| 133120 | 2015-03-06 | cif/ Updating files of 1518530, 1518531, 1518532 Original log message: Adding full bibliography for 1518530--1518532.cif. |
1518530.cif |
| 129381 | 2015-01-06 | cif/ Adding structures of 1518530, 1518531, 1518532 via cif-deposit CGI script. |
1518530.cif |
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Users of the data should acknowledge the original authors of the
structural data.