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Information card for entry 1502755
Preview
| Coordinates | 1502755.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider |
| Formula | C22 H14 N4 O2 |
|---|---|
| Calculated formula | C22 H14 N4 O2 |
| SMILES | o1c(nnc1c1ccccc1)c1ccccc1c1oc(nn1)c1ccccc1 |
| Title of publication | Excited state luminescence of multi-(5-phenyl-1,3,4-oxadiazo-2-yl)benzenes in an electron-donating matrix: exciplex or electroplex? |
| Authors of publication | Yang, Chih-Chiang; Hsu, Chia-Jung; Chou, Pi-Tai; Cheng, Hsu Chun; Su, Yuhlong Oliver; Leung, Man-kit |
| Journal of publication | The journal of physical chemistry. B |
| Year of publication | 2010 |
| Journal volume | 114 |
| Journal issue | 2 |
| Pages of publication | 756 - 768 |
| a | 8.7992 ± 0.0001 Å |
| b | 8.8626 ± 0.0001 Å |
| c | 13.2711 ± 0.0002 Å |
| α | 101.683 ± 0.001° |
| β | 91.357 ± 0.001° |
| γ | 111.848 ± 0.001° |
| Cell volume | 935.09 ± 0.02 Å3 |
| Cell temperature | 295 ± 2 K |
| Ambient diffraction temperature | 295 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0655 |
| Residual factor for significantly intense reflections | 0.0427 |
| Weighted residual factors for significantly intense reflections | 0.1073 |
| Weighted residual factors for all reflections included in the refinement | 0.124 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.076 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 201954 (current) | 2017-10-13 | cif/ Marking COD entries in range 1 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
1502755.cif |
| 176729 | 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. |
1502755.cif |
| 91932 | 2013-12-28 | cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs. |
1502755.cif |
| 36702 | 2012-03-01 | ../uploads/cif-deposit/cod/cif Adding structures of 1502755 via cif-deposit CGI script. |
1502755.cif |
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Users of the data should acknowledge the original authors of the
structural data.