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Information card for entry 1554668
Preview
Coordinates | 1554668.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C33 H22 Cl2 N4 O2 |
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Calculated formula | C33 H22 Cl2 N4 O2 |
SMILES | ClCCl.N#CC(=Cc1c2OCCCCOc3c(c2c2c(c1)cccc2)c1c(cc3C=C(C#N)C#N)cccc1)C#N |
Title of publication | Regulation of circular dichroism behavior and construction of tunable solid-state circularly polarized luminescence based on BINOL derivatives |
Authors of publication | Zhao, Na; Gao, Wangwang; Zhang, Min; Yang, Junfang; Zheng, Xiaoyan; Li, Yue; Cui, Rongrong; Yin, Wei; Li, Nan |
Journal of publication | Materials Chemistry Frontiers |
Year of publication | 2019 |
Journal volume | 3 |
Journal issue | 8 |
Pages of publication | 1613 |
a | 7.9714 ± 0.0004 Å |
b | 22.5703 ± 0.0008 Å |
c | 9.1047 ± 0.0004 Å |
α | 90° |
β | 115.426 ± 0.007° |
γ | 90° |
Cell volume | 1479.42 ± 0.14 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 5 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.0588 |
Residual factor for significantly intense reflections | 0.0561 |
Weighted residual factors for significantly intense reflections | 0.1657 |
Weighted residual factors for all reflections included in the refinement | 0.17 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.061 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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