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Information card for entry 1502202
Preview
| Coordinates | 1502202.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C43 H51 Br2 N Si2 |
|---|---|
| Calculated formula | C43 H51 Br2 N Si2 |
| SMILES | Brc1cc2cc3c(c4cc5cccnc5cc4c(c3cc2cc1Br)C#C[Si](C(C)C)(C(C)C)C(C)C)C#C[Si](C(C)C)(C(C)C)C(C)C |
| Title of publication | Synthesis of tetrachloro-azapentacene as an ambipolar organic semiconductor with high and balanced carrier mobilities. |
| Authors of publication | Song, Cheng-Li; Ma, Chong-Bo; Yang, Feng; Zeng, Wei-Jing; Zhang, Hao-Li; Gong, Xiong |
| Journal of publication | Organic letters |
| Year of publication | 2011 |
| Journal volume | 13 |
| Journal issue | 11 |
| Pages of publication | 2880 - 2883 |
| a | 8.054 ± 0.007 Å |
| b | 15.351 ± 0.013 Å |
| c | 17.569 ± 0.015 Å |
| α | 78.327 ± 0.016° |
| β | 87.401 ± 0.017° |
| γ | 88.636 ± 0.014° |
| Cell volume | 2125 ± 3 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.3335 |
| Residual factor for significantly intense reflections | 0.0945 |
| Weighted residual factors for significantly intense reflections | 0.1976 |
| Weighted residual factors for all reflections included in the refinement | 0.2607 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.018 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176729 (current) | 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. |
1502202.cif |
| 91932 | 2013-12-28 | cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs. |
1502202.cif |
| 35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
1502202.cif |
| 35511 | 2012-02-26 | ../uploads/cif-deposit/cod/cif Adding structures of 1502202 via cif-deposit CGI script. |
1502202.cif |
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Users of the data should acknowledge the original authors of the
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