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Information card for entry 7117778
Preview
Coordinates | 7117778.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C30 H21 N O |
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Calculated formula | C30 H21 N O |
SMILES | O=c1n2c(c3ccccc3)c(c3c(c2c(c2ccccc2)c2ccccc12)cccc3)C |
Title of publication | Rhodium-catalyzed C-H activation of hydrazines leads to isoquinolones with tunable aggregation-induced emission properties |
Authors of publication | Bole Yu; Ying Chen; Mei Hong; Pingping Duan; Shifeng Gan; Hui Chao; Zujin Zhao; Jing Zhao |
Journal of publication | Chem.Commun. |
Year of publication | 2015 |
Journal volume | 51 |
Pages of publication | 14365 |
a | 11.1528 ± 0.0002 Å |
b | 12.1629 ± 0.0002 Å |
c | 32.522 ± 0.002 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 4411.6 ± 0.3 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 4 |
Space group number | 61 |
Hermann-Mauguin space group symbol | P b c a |
Hall space group symbol | -P 2ac 2ab |
Residual factor for all reflections | 0.0461 |
Residual factor for significantly intense reflections | 0.0417 |
Weighted residual factors for significantly intense reflections | 0.1077 |
Weighted residual factors for all reflections included in the refinement | 0.1112 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.093 |
Diffraction radiation wavelength | 1.54187 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/7117778.html
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