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Information card for entry 7207889
Preview
Coordinates | 7207889.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | N-Phenyl-2,6-bis(2-thienyl)dithieno[3,2-b:2?3?-d]pyrrole |
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Formula | C22 H13 N S4 |
Calculated formula | C22 H13 N S4 |
Title of publication | Molecular tuning in highly fluorescent dithieno[3,2-b:2',3'-d]pyrrole-based oligomers: effects of N-functionalization and terminal aryl unit. |
Authors of publication | Evenson, Sean J.; Pappenfus, Ted M.; Delgado, M. Carmen Ruiz; Radke-Wohlers, Karla R; Navarrete, J T López; Rasmussen, Seth C. |
Journal of publication | Physical chemistry chemical physics : PCCP |
Year of publication | 2012 |
Journal volume | 14 |
Journal issue | 17 |
Pages of publication | 6101 - 6111 |
a | 10.8666 ± 0.0003 Å |
b | 22.8858 ± 0.0006 Å |
c | 7.4246 ± 0.0002 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1846.43 ± 0.09 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 4 |
Space group number | 33 |
Hermann-Mauguin space group symbol | P n a 21 |
Hall space group symbol | P 2c -2n |
Residual factor for all reflections | 0.032 |
Residual factor for significantly intense reflections | 0.0306 |
Weighted residual factors for significantly intense reflections | 0.0796 |
Weighted residual factors for all reflections included in the refinement | 0.0809 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.066 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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