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Information card for entry 4025242
Preview
| Coordinates | 4025242.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | C8-NDT |
|---|---|
| Chemical name | C8-NDT |
| Formula | C30 H40 S2 |
| Calculated formula | C30 H40 S2 |
| SMILES | c12sc(cc2ccc2c1ccc1c2sc(c1)CCCCCCCC)CCCCCCCC |
| Title of publication | Synthesis, Properties, Crystal Structures, and Semiconductor Characteristics of Naphtho[1,2-b:5,6-b']dithiophene and -diselenophene Derivatives |
| Authors of publication | Shoji Shinamura; Eigo Miyazaki; Kazuo Takimiya |
| Journal of publication | Journal of Organic Chemistry |
| Year of publication | 2010 |
| Journal volume | 75 |
| Pages of publication | 1228 - 1234 |
| a | 5.369 ± 0.009 Å |
| b | 11.119 ± 0.019 Å |
| c | 12.03 ± 0.02 Å |
| α | 109.24 ± 0.02° |
| β | 98.78 ± 0.02° |
| γ | 93.683 ± 0.019° |
| Cell volume | 665 ± 1.9 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0704 |
| Residual factor for significantly intense reflections | 0.0518 |
| Weighted residual factors for significantly intense reflections | 0.1263 |
| Weighted residual factors for all reflections included in the refinement | 0.1324 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.73 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178431 (current) | 2016-03-21 | cif/4/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/02/52. |
4025242.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4025242.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4025242.cif |
| 11015 | 2011-02-14 | ../uploads/cif-deposit/cod/cif Adding structures of 4025242 via cif-deposit CGI script. |
4025242.cif |
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Users of the data should acknowledge the original authors of the
structural data.