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Information card for entry 4036622
Preview
Coordinates | 4036622.cif |
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Original paper (by DOI) | HTML |
Formula | C22 H33 N4 O P |
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Calculated formula | C22 H33 N4 O P |
SMILES | P1(=O)(N([C@H]2[C@H](N1C(C)C)CCCC2)C(C)C)N[C@@H](c1ccccc1)C(=C)C#N |
Title of publication | Chiral N-Phosphonyl Imines for an Aza-Morita-Baylis-Hillman Reaction via Group-Assisted Purification (GAP) Chemistry. |
Authors of publication | Yang, Bing; Shen, Minxing; Ji, Xiaozhou; Xu, Ziyan; Sun, Hao; Jiang, Bo; Li, Guigen |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2016 |
Journal volume | 81 |
Journal issue | 6 |
Pages of publication | 2488 - 2493 |
a | 12.8626 ± 0.0011 Å |
b | 17.9115 ± 0.0016 Å |
c | 20.6589 ± 0.0019 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 4759.6 ± 0.7 Å3 |
Cell temperature | 298 ± 2 K |
Ambient diffraction temperature | 298 ± 2 K |
Number of distinct elements | 5 |
Space group number | 19 |
Hermann-Mauguin space group symbol | P 21 21 21 |
Hall space group symbol | P 2ac 2ab |
Residual factor for all reflections | 0.1377 |
Residual factor for significantly intense reflections | 0.0499 |
Weighted residual factors for significantly intense reflections | 0.069 |
Weighted residual factors for all reflections included in the refinement | 0.0767 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.035 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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