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Information card for entry 7125554
Preview
| Coordinates | 7125554.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C48 H36 N4 O4 |
|---|---|
| Calculated formula | C24 H17.8 N2 O4 |
| Title of publication | Site-directed regiocontrolled synthesis of a 'head-to-head' photodimer via a single-crystal-to-single-crystal transformation involving a linear template. |
| Authors of publication | Varshney, Dushyant B.; Papaefstathiou, Giannis S.; MacGillivray, Leonard R. |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2002 |
| Journal issue | 17 |
| Pages of publication | 1964 - 1965 |
| a | 10.168 ± 0.002 Å |
| b | 33.916 ± 0.007 Å |
| c | 11.277 ± 0.002 Å |
| α | 90° |
| β | 98.58 ± 0.03° |
| γ | 90° |
| Cell volume | 3845.4 ± 1.3 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0761 |
| Residual factor for significantly intense reflections | 0.0579 |
| Weighted residual factors for all reflections | 0.1612 |
| Weighted residual factors for significantly intense reflections | 0.1447 |
| Goodness-of-fit parameter for all reflections | 1.007 |
| Goodness-of-fit parameter for significantly intense reflections | 1.047 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 244033 (current) | 2019-11-28 | cif/ Adding structures of 7125554, 7125555 via cif-deposit CGI script. |
7125554.cif |
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Users of the data should acknowledge the original authors of the
structural data.