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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 |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4025242.html
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structural data.