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Information card for entry 1512346
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Coordinates | 1512346.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | 13100a |
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Formula | C21 H24 Br N O3 |
Calculated formula | C21 H24 Br N O3 |
SMILES | Brc1ccc(C(=O)[C@@H]2[C@@H]3C=C(N4C(=O)OC[C@H]4C(C)C)[C@@H](CC3)C2)cc1 |
Title of publication | A Highly Stereoselective Diels‒Alder Cycloaddition of Enones with Chiral Cyclic 2-Amidodienes Derived from Allenamides |
Authors of publication | Fang, Li-Chao; Hsung, Richard P.; Ma, Zhi-Xiong; Presser, William R. |
Journal of publication | Organic Letters |
Year of publication | 2013 |
Journal volume | 15 |
Journal issue | 18 |
Pages of publication | 4842 |
a | 6.4311 ± 0.0002 Å |
b | 10.2155 ± 0.0003 Å |
c | 14.4708 ± 0.0005 Å |
α | 90° |
β | 90.972 ± 0.001° |
γ | 90° |
Cell volume | 950.55 ± 0.05 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 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 | 0.0187 |
Residual factor for significantly intense reflections | 0.0187 |
Weighted residual factors for significantly intense reflections | 0.0489 |
Weighted residual factors for all reflections included in the refinement | 0.049 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.102 |
Diffraction radiation wavelength | 1.54178 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/1512346.html
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