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Information card for entry 4027397
Preview
Coordinates | 4027397.cif |
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Original paper (by DOI) | HTML |
Formula | C23 H22 N2 O4 |
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Calculated formula | C23 H22 N2 O4 |
SMILES | Oc1c([C@@]2(c3cc(OC)ccc3N[C@H](c3ccc(N(=O)=O)cc3)C2)C)cccc1.O(c1ccc2N[C@@H](c3ccc(N(=O)=O)cc3)C[C@](C)(c2c1)c1c(O)cccc1)C |
Title of publication | An Asymmetric Organocatalytic Povarov Reaction with 2-Hydroxystyrenes |
Authors of publication | Feng Shi; Gui-Juan Xing; Zhong-Lin Tao; Shi-Wei Luo; Shu-Jiang Tu; Liu-Zhu Gong |
Journal of publication | Journal of Organic Chemistry |
Year of publication | 2012 |
Journal volume | 77 |
Pages of publication | 6970 - 6979 |
a | 9.1473 ± 0.0001 Å |
b | 22.6768 ± 0.0002 Å |
c | 10.6126 ± 0.0001 Å |
α | 90° |
β | 114.247 ± 0.001° |
γ | 90° |
Cell volume | 2007.19 ± 0.04 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 4 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.0285 |
Residual factor for significantly intense reflections | 0.0281 |
Weighted residual factors for significantly intense reflections | 0.0748 |
Weighted residual factors for all reflections included in the refinement | 0.0752 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.037 |
Diffraction radiation wavelength | 1.54184 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/4027397.html
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