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Information card for entry 4025637
Preview
Coordinates | 4025637.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C21 H23 N O3 S |
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Calculated formula | C21 H23 N O3 S |
SMILES | c1(ccc(C)cc1)S(=O)(=O)N1C[C@@H](C=C)[C@H](C1)C(=O)c1ccc(C)cc1.c1(ccc(C)cc1)S(=O)(=O)N1C[C@H](C=C)[C@@H](C1)C(=O)c1ccc(C)cc1 |
Title of publication | Synthesis of cis-3-Acyl-4-alkenylpyrrolidines via Gold(I)-Catalyzed Cycloisomerization Reaction of (Z)-8-Aryl-5-tosyl-5-azaoct-2-en-7-yn-1-ols |
Authors of publication | Ming-Chang P. Yeh; Ming-Nan Lin; Wei-Jong Chang; Jia-Lun Liou; Ya-Fon Shih |
Journal of publication | Journal of Organic Chemistry |
Year of publication | 2010 |
Journal volume | 75 |
Pages of publication | 6031 - 6034 |
a | 28.657 ± 0.002 Å |
b | 11.1553 ± 0.0007 Å |
c | 6.0182 ± 0.0005 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1923.9 ± 0.2 Å3 |
Cell temperature | 200 ± 2 K |
Ambient diffraction temperature | 200 ± 2 K |
Number of distinct elements | 5 |
Space group number | 33 |
Hermann-Mauguin space group symbol | P n a 21 |
Hall space group symbol | P 2c -2n |
Residual factor for all reflections | 0.0789 |
Residual factor for significantly intense reflections | 0.0438 |
Weighted residual factors for significantly intense reflections | 0.0927 |
Weighted residual factors for all reflections included in the refinement | 0.1068 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.017 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/4025637.html
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Users of the data should acknowledge the original authors of the
structural data.