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Information card for entry 4106649
Preview
Coordinates | 4106649.cif |
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Original paper (by DOI) | HTML |
Formula | C16 H17 N3 O5 |
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Calculated formula | C16 H17 N3 O5 |
Title of publication | Phosphine-Catalyzed Annulations of Azomethine Imines: Allene-Dependent [3 + 2], [3 + 3], [4 + 3], and [3 + 2 + 3] Pathways |
Authors of publication | Risong Na; Chengfeng Jing; Qihai Xu; Hui Jiang; Xi Wu; Jiayan Shi; Jiangchun Zhong; Min Wang; Diego Benitez; Ekaterina Tkatchouk; William A. Goddard; Hongchao Guo; Ohyun Kwon |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2011 |
Journal volume | 133 |
Pages of publication | 13337 - 13348 |
a | 7.5943 ± 0.0007 Å |
b | 14.3844 ± 0.0014 Å |
c | 14.7836 ± 0.0014 Å |
α | 77.337 ± 0.001° |
β | 84.962 ± 0.001° |
γ | 81.67 ± 0.002° |
Cell volume | 1556.4 ± 0.3 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 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 | 0.0482 |
Residual factor for significantly intense reflections | 0.0402 |
Weighted residual factors for significantly intense reflections | 0.106 |
Weighted residual factors for all reflections included in the refinement | 0.1112 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.046 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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The link is: https://www.crystallography.net/4106649.html
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Users of the data should acknowledge the original authors of the
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