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Information card for entry 7115685
Preview
Coordinates | 7115685.cif |
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Original paper (by DOI) | HTML |
Formula | C36 H27.5 N0.5 O4 |
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Calculated formula | C36 H27.5 N0.5 O4 |
SMILES | O1C(C(=C[C@@H]1c1cccc2ccccc12)c1ccc(OC)cc1)(C(=O)c1ccccc1)C(=O)c1ccccc1.N#CC |
Title of publication | An asymmetric [3+2] cycloaddition of alkynes with oxiranes by selective C-C bond cleavage of epoxides: highly efficient synthesis of chiral furan derivatives |
Authors of publication | Weiliang Chen; Xuan Fu; Lili Lin; Xiao Yuan; Weiwei Luo; Juhua Feng; Xiaohua Liu; Xiaoming Feng |
Journal of publication | Chem.Commun. |
Year of publication | 2014 |
Journal volume | 50 |
Pages of publication | 11480 |
a | 11.7738 ± 0.00009 Å |
b | 12.39402 ± 0.00007 Å |
c | 19.49664 ± 0.00013 Å |
α | 90° |
β | 106.917 ± 0.0007° |
γ | 90° |
Cell volume | 2721.92 ± 0.03 Å3 |
Cell temperature | 100 ± 0.2 K |
Ambient diffraction temperature | 100 ± 0.2 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 | 0.0261 |
Residual factor for significantly intense reflections | 0.0257 |
Weighted residual factors for significantly intense reflections | 0.0668 |
Weighted residual factors for all reflections included in the refinement | 0.0673 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.046 |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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