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Information card for entry 1529504
Preview
Coordinates | 1529504.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C30 H21 Br2 N3 O2 S2 |
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Calculated formula | C30 H21 Br2 N3 O2 S2 |
SMILES | Brc1sc(c2nnc(c3c2c2ccc4C(=O)N(C(=O)c5ccc3c2c45)CCCCCC)c2sc(Br)cc2)cc1 |
Title of publication | Ultrahigh electron-deficient pyrrolo-acenaphtho-pyridazine-dione based donor‒acceptor conjugated polymers for electrochromic applications |
Authors of publication | Cho, Ching Mui; Ye, Qun; Neo, Wei Teng; Lin, Tingting; Lu, Xuehong; Xu, Jianwei |
Journal of publication | Polym. Chem. |
Year of publication | 2015 |
Journal volume | 6 |
Journal issue | 43 |
Pages of publication | 7570 |
a | 8.2952 ± 0.0004 Å |
b | 20.7323 ± 0.0009 Å |
c | 22.0577 ± 0.001 Å |
α | 90° |
β | 100.587 ± 0.002° |
γ | 90° |
Cell volume | 3728.9 ± 0.3 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 6 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0891 |
Residual factor for significantly intense reflections | 0.0776 |
Weighted residual factors for significantly intense reflections | 0.2322 |
Weighted residual factors for all reflections included in the refinement | 0.2454 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.091 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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