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Information card for entry 1504972
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Coordinates | 1504972.cif |
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Original paper (by DOI) | HTML |
Chemical name | 2,7-Di(bisbenzothiadiazolyl)-9,9-dioctylfluorene |
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Formula | C53.5 H52 N8 O0.5 S4 |
Calculated formula | C53.5 H50 N8 O0.5 S4 |
SMILES | OC.s1nc2c(c3ccc4c(c3)C(c3c4ccc(c3)c3c4nsnc4c(cc3)c3c4nsnc4ccc3)(CCCCCCCC)CCCCCCCC)ccc(c2n1)c1c2nsnc2ccc1 |
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 | 14.617 ± 0.003 Å |
b | 18.06 ± 0.003 Å |
c | 19.492 ± 0.003 Å |
α | 85.093 ± 0.008° |
β | 88.883 ± 0.008° |
γ | 86.647 ± 0.008° |
Cell volume | 5117.4 ± 1.6 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 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 | 0.1738 |
Residual factor for significantly intense reflections | 0.0967 |
Weighted residual factors for significantly intense reflections | 0.2528 |
Weighted residual factors for all reflections included in the refinement | 0.314 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.047 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/1504972.html
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