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Information card for entry 4036672
Preview
Coordinates | 4036672.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C24 H21 N O3 |
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Calculated formula | C24 H21 N O3 |
SMILES | n1c(OCC)c2cc3c(cccc3)cc2c(c1c1ccccc1)C(=O)OCC |
Title of publication | Access to Isoquinolines and Isoquinolin-3-ols via Rh(III)-Catalyzed Coupling/Cyclization Cascade Reaction of Arylimidates and Diazo Compounds. |
Authors of publication | Li, Xing Guang; Sun, Min; Jin, Qiao; Liu, Kai; Liu, Pei Nian |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2016 |
Journal volume | 81 |
Journal issue | 9 |
Pages of publication | 3901 - 3910 |
a | 11.414 ± 0.0019 Å |
b | 22.478 ± 0.004 Å |
c | 7.5849 ± 0.0012 Å |
α | 90° |
β | 105.181 ± 0.003° |
γ | 90° |
Cell volume | 1878.1 ± 0.5 Å3 |
Cell temperature | 133 ± 2 K |
Ambient diffraction temperature | 133 ± 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 | 0.0684 |
Residual factor for significantly intense reflections | 0.051 |
Weighted residual factors for significantly intense reflections | 0.1069 |
Weighted residual factors for all reflections included in the refinement | 0.1149 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.059 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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