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Information card for entry 4027400
Preview
Coordinates | 4027400.cif |
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Original paper (by DOI) | HTML |
Formula | C23 H20 F3 N O2 |
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Calculated formula | C23 H20 F3 N O2 |
SMILES | Oc1c([C@@H]2c3c(N[C@H](c4ccc(cc4)C(F)(F)F)C2)ccc(OC)c3)cccc1 |
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 | 7.6626 ± 0.0002 Å |
b | 5.8192 ± 0.0003 Å |
c | 21.5776 ± 0.0008 Å |
α | 90° |
β | 93.278 ± 0.003° |
γ | 90° |
Cell volume | 960.58 ± 0.07 Å3 |
Cell temperature | 291 ± 2 K |
Ambient diffraction temperature | 291 ± 2 K |
Number of distinct elements | 5 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.0706 |
Residual factor for significantly intense reflections | 0.0661 |
Weighted residual factors for significantly intense reflections | 0.1557 |
Weighted residual factors for all reflections included in the refinement | 0.1589 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.049 |
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/4027400.html
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