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Information card for entry 4106654
Preview
Coordinates | 4106654.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C24 H29 N3 O6 |
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Calculated formula | C24 H29 N3 O6 |
SMILES | O=C(OCC)C1=C([C@@H]([C@H](N2N(C=C1)C(=O)CC2)c1ccc(cc1)C#N)C(=O)OCC)C.OC.O=C(OCC)C1=C([C@H]([C@@H](N2N(C=C1)C(=O)CC2)c1ccc(cc1)C#N)C(=O)OCC)C.OC |
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 | 23.002 ± 0.002 Å |
b | 7.7747 ± 0.0008 Å |
c | 25.097 ± 0.003 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 4488.2 ± 0.8 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 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 | 0.0499 |
Residual factor for significantly intense reflections | 0.0433 |
Weighted residual factors for significantly intense reflections | 0.1032 |
Weighted residual factors for all reflections included in the refinement | 0.1067 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.091 |
Diffraction radiation wavelength | 1.54186 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/4106654.html
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Users of the data should acknowledge the original authors of the
structural data.