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Information card for entry 4036300
Preview
Coordinates | 4036300.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C12 H18 N O6 P S |
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Calculated formula | C12 H18 N O6 P S |
SMILES | P(=O)(OC)(OC)[C@H]1OS(=O)(=O)N[C@H]1CCc1ccccc1 |
Title of publication | Stereoselective Synthesis of 4-Substituted Cyclic Sulfamidate-5-Phosphonates by Using Rh-Catalyzed, Asymmetric Transfer Hydrogenation with Accompanying Dynamic Kinetic Resolution. |
Authors of publication | Seo, Yeon Ji; Kim, Jin-ah; Lee, Hyeon-Kyu |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2015 |
Journal volume | 80 |
Journal issue | 17 |
Pages of publication | 8887 - 8902 |
a | 9.5293 ± 0.0004 Å |
b | 15.7276 ± 0.0006 Å |
c | 10.3868 ± 0.0004 Å |
α | 90° |
β | 100.495 ± 0.002° |
γ | 90° |
Cell volume | 1530.66 ± 0.11 Å3 |
Cell temperature | 100 ± 1 K |
Ambient diffraction temperature | 100 ± 1 K |
Number of distinct elements | 6 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.0473 |
Residual factor for significantly intense reflections | 0.0392 |
Weighted residual factors for significantly intense reflections | 0.0927 |
Weighted residual factors for all reflections included in the refinement | 0.0975 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.067 |
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/4036300.html
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