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Information card for entry 1555430
Preview
Coordinates | 1555430.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C82 H54 N4 |
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Calculated formula | C82 H54 N4 |
SMILES | c1ccccc1C(=C(c1ccccc1)c1ccc(cc1)c1n(c2ccccc2)c2c3cccc4c3c3c(c5c4n(c(n5)c4ccc(cc4)C(=C(c4ccccc4)c4ccccc4)c4ccccc4)c4ccccc4)cccc3c2n1)c1ccccc1 |
Title of publication | Isomers of Pyrene-Imidazole Compounds: Synthesis and Configuration Effect on Optical Properties. |
Authors of publication | Liu, Yulong; Shan, Tong; Yao, Liang; Bai, Qing; Guo, Yachen; Li, Jinyu; Han, Xiao; Li, Weijun; Wang, Zhiming; Yang, Bing; Lu, Ping; Ma, Yuguang |
Journal of publication | Organic letters |
Year of publication | 2015 |
Journal volume | 17 |
Journal issue | 24 |
Pages of publication | 6138 - 6141 |
a | 10.0347 ± 0.0008 Å |
b | 11.9855 ± 0.001 Å |
c | 25.329 ± 0.002 Å |
α | 77.339 ± 0.002° |
β | 87.855 ± 0.002° |
γ | 87.767 ± 0.002° |
Cell volume | 2968.7 ± 0.4 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 3 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0835 |
Residual factor for significantly intense reflections | 0.0527 |
Weighted residual factors for significantly intense reflections | 0.1406 |
Weighted residual factors for all reflections included in the refinement | 0.1671 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.019 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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