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Information card for entry 4512026
Preview
| Coordinates | 4512026.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | 3,6-bis(N,N-dianisylamino)-fluoren-9-ylidene malononitrile |
|---|---|
| Chemical name | 3,6-bis-(N,N-di-(4-methoxyphenyl)amino)-fluoren-9-ylidene malononitrile |
| Formula | C44 H34 N4 O4 |
| Calculated formula | C44 H34 N4 O4 |
| SMILES | O(c1ccc(N(c2cc3c4cc(N(c5ccc(OC)cc5)c5ccc(OC)cc5)ccc4C(=C(C#N)C#N)c3cc2)c2ccc(cc2)OC)cc1)C |
| Title of publication | Solution-Processed Photovoltaics with a 3,6-Bis(diarylamino)fluoren-9-ylidene Malononitrile. |
| Authors of publication | Karak, Supravat; Homnick, Paul J.; Renna, Lawrence A.; Venkataraman, D.; Mague, Joel T.; Lahti, Paul M. |
| Journal of publication | ACS applied materials & interfaces |
| Year of publication | 2014 |
| Journal volume | 6 |
| Journal issue | 19 |
| Pages of publication | 16476 - 16480 |
| a | 6.745 ± 0.0002 Å |
| b | 33.3782 ± 0.0009 Å |
| c | 33.0577 ± 0.0011 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 7442.5 ± 0.4 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 29 |
| Hermann-Mauguin space group symbol | P c a 21 |
| Hall space group symbol | P 2c -2ac |
| Residual factor for all reflections | 0.1541 |
| Residual factor for significantly intense reflections | 0.1149 |
| Weighted residual factors for significantly intense reflections | 0.2794 |
| Weighted residual factors for all reflections included in the refinement | 0.307 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.049 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179667 (current) | 2016-03-24 | cif/4/51/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/51/20. |
4512026.cif |
| 126813 | 2014-11-11 | cif/ Updating files of 4512026 Original log message: Adding full bibliography for 4512026.cif. |
4512026.cif |
| 124398 | 2014-09-30 | cif/ Adding structures of 4512026 via cif-deposit CGI script. |
4512026.cif |
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