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Information card for entry 7156286
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Coordinates | 7156286.cif |
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Original paper (by DOI) | HTML |
Chemical name | Methyl 1-((4,4-dimethyl-3-phenyl-4,5-dihydroisoxazol-5-yl)methyl)-4-phenylisoquinoline-3-carboxylate |
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Formula | C29 H26 N2 O3 |
Calculated formula | C29 H26 N2 O3 |
Title of publication | Synthetic access to isoxazoline-functionalized isoquinolines via microwave-assisted iminoxyl radical-participated cascade cyclization of vinyl isocyanides. |
Authors of publication | Xu, Yulong; Chen, Hao; Li, Wei; Xie, Qiong; Yu, Linqian; Shao, Liming |
Journal of publication | Organic & biomolecular chemistry |
Year of publication | 2018 |
Journal volume | 16 |
Journal issue | 27 |
Pages of publication | 4996 - 5005 |
a | 10.1449 ± 0.0002 Å |
b | 11.6133 ± 0.0003 Å |
c | 40.0056 ± 0.0009 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 4713.29 ± 0.19 Å3 |
Cell temperature | 302 ± 2 K |
Ambient diffraction temperature | 301.85 K |
Number of distinct elements | 4 |
Space group number | 61 |
Hermann-Mauguin space group symbol | P b c a |
Hall space group symbol | -P 2ac 2ab |
Residual factor for all reflections | 0.0668 |
Residual factor for significantly intense reflections | 0.051 |
Weighted residual factors for significantly intense reflections | 0.1284 |
Weighted residual factors for all reflections included in the refinement | 0.1408 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.021 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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