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Information card for entry 1555980
Preview
Coordinates | 1555980.cif |
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Original paper (by DOI) | HTML |
Formula | C26 H27 N7 O2 |
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Calculated formula | C26 H27 N7 O2 |
SMILES | O(c1cc2c([C@@H](NC(=O)c3ncccc3)[C@@H]3N4C[C@@H]([C@@H](CC4)C3)C=C)cc3n(nnn3)c2cc1)C |
Title of publication | Enantioselective Oxidative Ring-Opening Reaction of Aziridines with α-Nitroesters Using Cinchona Alkaloid Amide/Nickel(II) Catalysts. |
Authors of publication | Shiomi, Noriyuki; Yamamoto, Keisuke; Nagasaki, Kazuma; Hatanaka, Tsubasa; Funahashi, Yasuhiro; Nakamura, Shuichi |
Journal of publication | Organic letters |
Year of publication | 2017 |
Journal volume | 19 |
Journal issue | 1 |
Pages of publication | 74 - 77 |
a | 11.8603 ± 0.0006 Å |
b | 9.4892 ± 0.0004 Å |
c | 12.0188 ± 0.0009 Å |
α | 90° |
β | 118.477 ± 0.008° |
γ | 90° |
Cell volume | 1188.99 ± 0.15 Å3 |
Cell temperature | 173 K |
Ambient diffraction temperature | 173 K |
Number of distinct elements | 4 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.0818 |
Residual factor for significantly intense reflections | 0.0509 |
Weighted residual factors for significantly intense reflections | 0.0835 |
Weighted residual factors for all reflections included in the refinement | 0.0895 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.003 |
Diffraction radiation wavelength | 0.71075 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/1555980.html
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