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Information card for entry 7207501
Preview
| Coordinates | 7207501.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | HB364 |
|---|---|
| Formula | C26 H30 N4 S |
| Calculated formula | C26 H30 N4 S |
| SMILES | S1C(=C/C=C2/N(CCCC)c3ccccc3C2(C)C)\C(=NC1=C(C#N)C#N)CCCC |
| Title of publication | Planar, bulk and hybrid merocyanine/C60 heterojunction devices: a case study on thin film morphology and photovoltaic performance |
| Authors of publication | Ojala, Antti; Bürckstümmer, Hannah; Hwang, Jaehyung; Graf, Katja; von Vacano, Bernhard; Meerholz, Klaus; Erk, Peter; Würthner, Frank |
| Journal of publication | Journal of Materials Chemistry |
| Year of publication | 2012 |
| Journal volume | 22 |
| Journal issue | 10 |
| Pages of publication | 4473 |
| a | 13.0466 ± 0.0003 Å |
| b | 7.5537 ± 0.0002 Å |
| c | 23.8222 ± 0.0006 Å |
| α | 90° |
| β | 91.002 ± 0.001° |
| γ | 90° |
| Cell volume | 2347.32 ± 0.1 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 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 | 0.035 |
| Residual factor for significantly intense reflections | 0.034 |
| Weighted residual factors for significantly intense reflections | 0.093 |
| Weighted residual factors for all reflections included in the refinement | 0.094 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.033 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301863 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/20/ Each referenced PubChem compound corresponds to the full crystal structure. |
7207501.cif |
| 180406 | 2016-03-26 | cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/75. |
7207501.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7207501.cif |
| 37708 | 2012-03-04 | ../uploads/cif-deposit/cod/cif Adding structures of 7207501 via cif-deposit CGI script. |
7207501.cif |
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Users of the data should acknowledge the original authors of the
structural data.