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Information card for entry 4029200
Preview
Coordinates | 4029200.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C22 H27 N O6 S |
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Calculated formula | C22 H27 N O6 S |
SMILES | S(=O)(=O)([C@H]1[C@@H](N(C(=O)[C@H](C1)C)C)c1c(OC)cc(OC)cc1OC)c1ccccc1.S(=O)(=O)([C@@H]1[C@H](N(C(=O)[C@@H](C1)C)C)c1c(OC)cc(OC)cc1OC)c1ccccc1 |
Title of publication | Diastereoselective Synthesis of γ- and δ-Lactams from Imines and Sulfone-Substituted Anhydrides. |
Authors of publication | Sorto, Nohemy A.; Di Maso, Michael J.; Muñoz, Manuel A; Dougherty, Ryan J.; Fettinger, James C.; Shaw, Jared T. |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2014 |
Journal volume | 79 |
Journal issue | 6 |
Pages of publication | 2601 - 2610 |
a | 7.6276 ± 0.0008 Å |
b | 10.0615 ± 0.001 Å |
c | 13.8356 ± 0.0014 Å |
α | 87.1409 ± 0.0013° |
β | 80.4019 ± 0.0014° |
γ | 85.7471 ± 0.0013° |
Cell volume | 1043.31 ± 0.18 Å3 |
Cell temperature | 90 ± 2 K |
Ambient diffraction temperature | 90 ± 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 | 0.0297 |
Residual factor for significantly intense reflections | 0.0284 |
Weighted residual factors for significantly intense reflections | 0.0772 |
Weighted residual factors for all reflections included in the refinement | 0.0783 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.032 |
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/4029200.html
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Users of the data should acknowledge the original authors of the
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