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Information card for entry 4033063
Preview
Coordinates | 4033063.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C19 H19 N O2 |
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Calculated formula | C19 H19 N O2 |
SMILES | O[C@@]1(C(=CC(=N[C@H]1OC)c1ccccc1)c1ccccc1)C.O[C@]1(C(=CC(=N[C@@H]1OC)c1ccccc1)c1ccccc1)C |
Title of publication | Transition-Metal-Free Cascade Approach toward 2-Alkoxy/2-Sulfenylpyridines and Dihydrofuro[2,3-b]pyridines by Trapping In Situ Generated 1,4-Oxazepine. |
Authors of publication | Cheng, Guolin; Xue, Lulu; Weng, Yunxiang; Cui, Xiuling |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2017 |
Journal volume | 82 |
Journal issue | 18 |
Pages of publication | 9515 - 9524 |
a | 8.8975 ± 0.0006 Å |
b | 9.7369 ± 0.0005 Å |
c | 10.996 ± 0.0009 Å |
α | 96.23 ± 0.006° |
β | 112.79 ± 0.007° |
γ | 112.251 ± 0.006° |
Cell volume | 775.65 ± 0.12 Å3 |
Cell temperature | 291 ± 2 K |
Ambient diffraction temperature | 291.15 K |
Number of distinct elements | 4 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0485 |
Residual factor for significantly intense reflections | 0.0409 |
Weighted residual factors for significantly intense reflections | 0.11 |
Weighted residual factors for all reflections included in the refinement | 0.1164 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.05 |
Diffraction radiation wavelength | 1.54184 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/4033063.html
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