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Information card for entry 4505862
Preview
| Coordinates | 4505862.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C38 H18 N4 |
|---|---|
| Calculated formula | C38 H18 N4 |
| Title of publication | Crystal structure and phototransistor behavior of N-substituted heptacence. |
| Authors of publication | Wu, Yuechao; Yin, Zongyou; Xiao, Jinchong; Liu, Yi; Wei, Fengxia; Tan, Ke Jie; Kloc, Christian; Huang, Ling; Yan, Qingyu; Hu, Fangzhong; Zhang, Hua; Zhang, Qichun |
| Journal of publication | ACS applied materials & interfaces |
| Year of publication | 2012 |
| Journal volume | 4 |
| Journal issue | 4 |
| Pages of publication | 1883 - 1886 |
| a | 24.2945 ± 0.0012 Å |
| b | 3.8517 ± 0.0002 Å |
| c | 25.4884 ± 0.0015 Å |
| α | 90° |
| β | 99.407 ± 0.003° |
| γ | 90° |
| Cell volume | 2353 ± 0.2 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 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 | 0.1026 |
| Residual factor for significantly intense reflections | 0.0444 |
| Weighted residual factors for significantly intense reflections | 0.0941 |
| Weighted residual factors for all reflections included in the refinement | 0.1224 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.993 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 198633 (current) | 2017-07-11 | cod/ (melanie@ameba.ibt.lt) Correcting the '_refine_ls_hydrogen_treatment' data item 'constr' enumeration values with the help of the cif_fix_values script from the cod-tools package revision 5455. The following command was used : cif_fix_values --fix-misspelled src/cod-tools/trunk/data/replacement-values/replacement_values.lst $i | cif_filter --no-exclude-publication-details -h $i | sponge $i A total of 700 files were changed. |
4505862.cif |
| 179594 | 2016-03-24 | cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/58. |
4505862.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4505862.cif |
| 57340 | 2012-05-18 | cif/ Adding structures of 4505862 via cif-deposit CGI script. |
4505862.cif |
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Users of the data should acknowledge the original authors of the
structural data.