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Information card for entry 7117777
Preview
Coordinates | 7117777.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C18 H15 N O |
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Calculated formula | C18 H15 N O |
SMILES | O=c1[nH]c(c2ccccc2)c(c2c1cccc2)C1CC1 |
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 | 12.7421 ± 0.0002 Å |
b | 7.5139 ± 0.0001 Å |
c | 14.7733 ± 0.001 Å |
α | 90° |
β | 106.877 ± 0.008° |
γ | 90° |
Cell volume | 1353.52 ± 0.11 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 4 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0537 |
Residual factor for significantly intense reflections | 0.0468 |
Weighted residual factors for significantly intense reflections | 0.1214 |
Weighted residual factors for all reflections included in the refinement | 0.1303 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.124 |
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/7117777.html
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