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Information card for entry 1507737
Preview
Coordinates | 1507737.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C17 H21 N O4 S |
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Calculated formula | C17 H21 N O4 S |
SMILES | [C@]1(CC[C@@H]([C@H]1CC(=O)OCC)C)(C#N)S(=O)(=O)c1ccccc1.[C@@]1(CC[C@H]([C@@H]1CC(=O)OCC)C)(C#N)S(=O)(=O)c1ccccc1 |
Title of publication | Formal [4 + 1]- and [5 + 1]-annulation by an s(n)2-conjugate addition sequence: stereoselective synthesis of highly substituted carbocycles. |
Authors of publication | Tong, Benny Meng Kiat; Chen, Hui; Chong, Sin Yee; Heng, Yi Li; Chiba, Shunsuke |
Journal of publication | Organic letters |
Year of publication | 2012 |
Journal volume | 14 |
Journal issue | 11 |
Pages of publication | 2826 - 2829 |
a | 7.5986 ± 0.0006 Å |
b | 10.3898 ± 0.0007 Å |
c | 11.2916 ± 0.0009 Å |
α | 102.82 ± 0.002° |
β | 98.634 ± 0.002° |
γ | 97.615 ± 0.002° |
Cell volume | 846.57 ± 0.11 Å3 |
Cell temperature | 103 ± 2 K |
Ambient diffraction temperature | 103 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.047 |
Residual factor for significantly intense reflections | 0.0356 |
Weighted residual factors for significantly intense reflections | 0.1043 |
Weighted residual factors for all reflections included in the refinement | 0.1245 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.173 |
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/1507737.html
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Users of the data should acknowledge the original authors of the
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