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Information card for entry 1567653
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Coordinates | 1567653.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C27 H26 N2 O |
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Calculated formula | C27 H26 N2 O |
Title of publication | Synthesis of carbinoxamine via α-C(sp3)–H 2-pyridylation of O, S or N-containing compounds enabled by non-D–A-type super organoreductants and sulfoxide- or sulfide HAT reagents |
Authors of publication | Cui, Xian-Chao; Zhang, Hu; Wang, Yi-Ping; Qu, Jian-Ping; Kang, Yan-Biao |
Journal of publication | Chemical Science |
Year of publication | 2022 |
Journal volume | 13 |
Journal issue | 37 |
Pages of publication | 11246 - 11251 |
a | 7.8864 ± 0.0003 Å |
b | 9.9577 ± 0.0004 Å |
c | 15.3148 ± 0.0004 Å |
α | 75.304 ± 0.003° |
β | 85.678 ± 0.003° |
γ | 67.535 ± 0.004° |
Cell volume | 1074.74 ± 0.07 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 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 | 0.0432 |
Residual factor for significantly intense reflections | 0.0407 |
Weighted residual factors for significantly intense reflections | 0.1111 |
Weighted residual factors for all reflections included in the refinement | 0.1142 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.04 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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