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Information card for entry 1504973
Preview
Coordinates | 1504973.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | 7,7'-di(9,9-dioctylfluoren-2-yl)-4,4'-bis(2,1,3-benzothiadazole) |
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Formula | C70.25 H86.25 Cl0.75 N4 S2 |
Calculated formula | C70.26 H86.26 Cl0.78 N4 S2 |
Title of publication | A simple route toward the synthesis of bisbenzothiadiazole derivatives. |
Authors of publication | Anant, Piyush; Lucas, Nigel T.; Jacob, Josemon |
Journal of publication | Organic letters |
Year of publication | 2008 |
Journal volume | 10 |
Journal issue | 24 |
Pages of publication | 5533 - 5536 |
a | 40.494 ± 0.002 Å |
b | 15.6042 ± 0.0009 Å |
c | 9.6955 ± 0.0006 Å |
α | 90° |
β | 90.201 ± 0.002° |
γ | 90° |
Cell volume | 6126.3 ± 0.6 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 5 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.0734 |
Residual factor for significantly intense reflections | 0.0476 |
Weighted residual factors for significantly intense reflections | 0.1163 |
Weighted residual factors for all reflections included in the refinement | 0.1313 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.034 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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The link is: https://www.crystallography.net/1504973.html
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