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Information card for entry 1552379
Preview
Coordinates | 1552379.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C40 H24 |
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Calculated formula | C40 H24 |
SMILES | C1(c2ccccc2C(c2ccccc12)=C1c2c(cccc2)c2c1cccc2)=C1c2ccccc2c2ccccc12 |
Title of publication | The Butterfly Effect in Bisfluorenylidene-based Dihydroacenes: Aggregation Induced Emission and Spin Switching |
Authors of publication | Yin, Xiaodong; Low, Jonathan Z.; Fallon, Kealan; Paley, Daniel W.; Campos, Luis |
Journal of publication | Chemical Science |
Year of publication | 2019 |
a | 9.73779 ± 0.00016 Å |
b | 17.0425 ± 0.0003 Å |
c | 15.4561 ± 0.0003 Å |
α | 90° |
β | 91.0108 ± 0.0014° |
γ | 90° |
Cell volume | 2564.64 ± 0.08 Å3 |
Cell temperature | 100 ± 0.1 K |
Ambient diffraction temperature | 100 ± 0.1 K |
Number of distinct elements | 2 |
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 | 0.049 |
Residual factor for significantly intense reflections | 0.0421 |
Weighted residual factors for significantly intense reflections | 0.1029 |
Weighted residual factors for all reflections included in the refinement | 0.1076 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.028 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/1552379.html
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