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Information card for entry 4036611
Preview
Coordinates | 4036611.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C16 H22 I N O |
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Calculated formula | C16 H22 I N O |
SMILES | IC[C@H]1CC(=O)N([C@@H](C1)c1ccccc1)C(C)(C)C.IC[C@@H]1CC(=O)N([C@H](C1)c1ccccc1)C(C)(C)C |
Title of publication | Stereoselectivity of 6-Exo Cyclization of α-Carbamoyl Radicals. |
Authors of publication | Song, Liyan; Fang, Xinqiang; Wang, Zijia; Liu, Kun; Li, Chaozhong |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2016 |
Journal volume | 81 |
Journal issue | 6 |
Pages of publication | 2442 - 2450 |
a | 6.3333 ± 0.0013 Å |
b | 12.763 ± 0.003 Å |
c | 19.654 ± 0.003 Å |
α | 78.988 ± 0.005° |
β | 88.769 ± 0.006° |
γ | 89.774 ± 0.006° |
Cell volume | 1559.1 ± 0.5 Å3 |
Cell temperature | 132 ± 2 K |
Ambient diffraction temperature | 132 ± 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 | 0.0938 |
Residual factor for significantly intense reflections | 0.07 |
Weighted residual factors for significantly intense reflections | 0.1847 |
Weighted residual factors for all reflections included in the refinement | 0.2159 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.05 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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