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Information card for entry 4027202
Preview
Coordinates | 4027202.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C25 H29 F3 N2 O4 |
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Calculated formula | C25 H29 F3 N2 O4 |
SMILES | C1CCCCC1C[C@@H](N(=O)=O)[C@H](c1ccccc1)N(C(=O)C(F)(F)F)Cc1ccccc1OC.C1CCCCC1C[C@H](N(=O)=O)[C@@H](c1ccccc1)N(C(=O)C(F)(F)F)Cc1ccccc1OC |
Title of publication | Diastereoselective Reductive Nitro-Mannich Reactions |
Authors of publication | James C. Anderson; Alexander J. Blake; Paul J. Koovits; Gregory J. Stepney |
Journal of publication | Journal of Organic Chemistry |
Year of publication | 2012 |
Journal volume | 77 |
Pages of publication | 4711 - 4724 |
a | 13.7269 ± 0.001 Å |
b | 11.5617 ± 0.0008 Å |
c | 15.2996 ± 0.0011 Å |
α | 90° |
β | 98.286 ± 0.002° |
γ | 90° |
Cell volume | 2402.8 ± 0.3 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0591 |
Residual factor for significantly intense reflections | 0.044 |
Weighted residual factors for significantly intense reflections | 0.105 |
Weighted residual factors for all reflections included in the refinement | 0.11 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.99 |
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/4027202.html
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