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Information card for entry 1545995
Preview
Coordinates | 1545995.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C24 H17 N3 O7 S |
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Calculated formula | C24 H17 N3 O7 S |
SMILES | S(=O)(=O)(N1[C@H](c2ccc(cc2)C#N)[C@H](c2c(C1=O)cccc2)C(=O)OC)c1ccc(N(=O)=O)cc1.S(=O)(=O)(N1[C@@H](c2ccc(cc2)C#N)[C@@H](c2c(C1=O)cccc2)C(=O)OC)c1ccc(N(=O)=O)cc1 |
Title of publication | Diastereoselective Base-Catalyzed Formal [4 + 2] Cycloadditions of N-Sulfonyl Imines and Cyclic Anhydrides. |
Authors of publication | Laws, Stephen W.; Moore, Lucas C.; Di Maso, Michael J.; Nguyen, Q Nhu N; Tantillo, Dean J.; Shaw, Jared T. |
Journal of publication | Organic letters |
Year of publication | 2017 |
Journal volume | 19 |
Journal issue | 10 |
Pages of publication | 2466 - 2469 |
a | 13.7214 ± 0.0014 Å |
b | 9.2266 ± 0.0009 Å |
c | 34.566 ± 0.004 Å |
α | 90° |
β | 91.593 ± 0.002° |
γ | 90° |
Cell volume | 4374.4 ± 0.8 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 99.99 K |
Number of distinct elements | 5 |
Space group number | 15 |
Hermann-Mauguin space group symbol | I 1 2/a 1 |
Hall space group symbol | -I 2ya |
Residual factor for all reflections | 0.0357 |
Residual factor for significantly intense reflections | 0.0326 |
Weighted residual factors for significantly intense reflections | 0.088 |
Weighted residual factors for all reflections included in the refinement | 0.09 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.049 |
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/1545995.html
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