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Information card for entry 4105257
Preview
| Coordinates | 4105257.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C14 H12 N2 |
|---|---|
| Calculated formula | C14 H12 N2 |
| Title of publication | Highly Efficient Reversible Z-E Photoisomerization of a Bridged Azobenzene with Visible Light through Resolved S1(nπ*) Absorption Bands |
| Authors of publication | Ron Siewertsen; Hendrikje Neumann; Bengt Buchheim-Stehn; Rainer Herges; Christian Näther; Falk Renth; Friedrich Temps |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2009 |
| Journal volume | 131 |
| Pages of publication | 15594 - 15595 |
| a | 8.509 ± 0.0006 Å |
| b | 13.1425 ± 0.0007 Å |
| c | 9.904 ± 0.0006 Å |
| α | 90° |
| β | 92.759 ± 0.008° |
| γ | 90° |
| Cell volume | 1106.28 ± 0.12 Å3 |
| Cell temperature | 170 ± 2 K |
| Ambient diffraction temperature | 170 ± 2 K |
| Number of distinct elements | 3 |
| 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 | 0.0682 |
| Residual factor for significantly intense reflections | 0.0481 |
| Weighted residual factors for significantly intense reflections | 0.1251 |
| Weighted residual factors for all reflections included in the refinement | 0.1372 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.048 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301832 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/10/ Each referenced PubChem compound corresponds to the full crystal structure. |
4105257.cif |
| 178798 | 2016-03-21 | cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/52. |
4105257.cif |
| 120076 | 2014-07-11 | Adding DOIs to range 4/10 structures. | 4105257.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4105257.cif |
| 30451 | 2011-11-12 | ../uploads/cif-deposit/cod/cif Adding structures of 4105257 via cif-deposit CGI script. |
4105257.cif |
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Users of the data should acknowledge the original authors of the
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