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Information card for entry 1553894
Preview
Coordinates | 1553894.cif |
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Original paper (by DOI) | HTML |
Formula | C24 H20 N2 O5 |
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Calculated formula | C24 H20 N2 O5 |
SMILES | O=C(N[C@]1(C(=O)Oc2c([C@@H]1CN(=O)=O)cccc2)Cc1ccccc1)c1ccccc1 |
Title of publication | Asymmetric synthesis of 3-aminodihydrocoumarins via the chiral guanidine catalyzed cascade reaction of azlactones |
Authors of publication | Ruan, Sai; Lin, Xiaobin; Xie, Lihua; Lin, Lili; Feng, Xiaoming; Liu, Xiaohua |
Journal of publication | Organic Chemistry Frontiers |
Year of publication | 2018 |
Journal volume | 5 |
Journal issue | 1 |
Pages of publication | 32 |
a | 10.31419 ± 0.00017 Å |
b | 19.2062 ± 0.0003 Å |
c | 11.0205 ± 0.0002 Å |
α | 90° |
β | 109.532 ± 0.002° |
γ | 90° |
Cell volume | 2057.49 ± 0.07 Å3 |
Cell temperature | 135 K |
Ambient diffraction temperature | 135 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 | 0.0427 |
Residual factor for significantly intense reflections | 0.0414 |
Weighted residual factors for significantly intense reflections | 0.1079 |
Weighted residual factors for all reflections included in the refinement | 0.1097 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.061 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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