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Information card for entry 1545994
Preview
Coordinates | 1545994.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C23 H17 Cl N2 O7 S |
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Calculated formula | C23 H17 Cl N2 O7 S |
SMILES | S(=O)(=O)(N1C(=O)c2c([C@@H](C(=O)OC)[C@@H]1c1ccc(Cl)cc1)cccc2)c1ccc(N(=O)=O)cc1.S(=O)(=O)(N1C(=O)c2c([C@H](C(=O)OC)[C@H]1c1ccc(Cl)cc1)cccc2)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 | 9.1593 ± 0.0007 Å |
b | 11.0566 ± 0.0008 Å |
c | 12.405 ± 0.0009 Å |
α | 64.95 ± 0.001° |
β | 76.98 ± 0.001° |
γ | 89.327 ± 0.001° |
Cell volume | 1103.85 ± 0.14 Å3 |
Cell temperature | 90 ± 2 K |
Ambient diffraction temperature | 90.15 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0451 |
Residual factor for significantly intense reflections | 0.0373 |
Weighted residual factors for significantly intense reflections | 0.0984 |
Weighted residual factors for all reflections included in the refinement | 0.1034 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.021 |
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/1545994.html
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Users of the data should acknowledge the original authors of the
structural data.