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Information card for entry 7113387
Preview
Coordinates | 7113387.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C23 H22 N2 O6 |
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Calculated formula | C23 H22 N2 O6 |
SMILES | O(c1ccccc1N[C@@](c1ccccc1)([C@@H](O)c1ccccc1N(=O)=O)C(=O)OC)C.O(c1ccccc1N[C@](c1ccccc1)([C@H](O)c1ccccc1N(=O)=O)C(=O)OC)C |
Title of publication | Novel C-C bond formation through addition of ammonium ylides to arylaldehydes: a facile approach to beta-aryl-beta-hydroxy alpha-amino acid frameworks. |
Authors of publication | Wang, Yuanhua; Chen, Zhiyong; Mi, Aiqiao; Hu, Wenhao |
Journal of publication | Chemical communications (Cambridge, England) |
Year of publication | 2004 |
Journal issue | 21 |
Pages of publication | 2486 - 2487 |
a | 9.919 ± 0.002 Å |
b | 16.766 ± 0.004 Å |
c | 25.021 ± 0.005 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 4161 ± 1.5 Å3 |
Cell temperature | 291 ± 2 K |
Ambient diffraction temperature | 291 ± 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 | 0.1298 |
Residual factor for significantly intense reflections | 0.047 |
Weighted residual factors for significantly intense reflections | 0.0853 |
Weighted residual factors for all reflections included in the refinement | 0.0998 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.803 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/7113387.html
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