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Information card for entry 1543830
Preview
Coordinates | 1543830.cif |
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Original paper (by DOI) | HTML |
Formula | C30 H22 F3 N O2 |
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Calculated formula | C30 H22 F3 N O2 |
SMILES | FC(F)(F)c1ccc(cc1)c1nc(c2c(c1c1ccccc1)cc(OC)cc2)c1ccc(OC)cc1 |
Title of publication | Redox-Divergent Hydrogen-Retentive or Hydrogen-Releasing Synthesis of 3,4-Dihydroisoquinolines or Isoquinolines. |
Authors of publication | He, Ke-Han; Zhang, Wei-Dong; Yang, Ming-Yu; Tang, Kai-Li; Qu, Mengnan; Ding, You-Song; Li, Yang |
Journal of publication | Organic letters |
Year of publication | 2016 |
Journal volume | 18 |
Journal issue | 12 |
Pages of publication | 2840 - 2843 |
a | 8.959 ± 0.002 Å |
b | 10.483 ± 0.002 Å |
c | 13.867 ± 0.003 Å |
α | 77.615 ± 0.003° |
β | 85.443 ± 0.003° |
γ | 71.589 ± 0.003° |
Cell volume | 1206.8 ± 0.4 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0708 |
Residual factor for significantly intense reflections | 0.0516 |
Weighted residual factors for significantly intense reflections | 0.135 |
Weighted residual factors for all reflections included in the refinement | 0.1499 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.055 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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Users of the data should acknowledge the original authors of the
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