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Information card for entry 4035510
Preview
Coordinates | 4035510.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C17 H21 N O4 |
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Calculated formula | C17 H21 N O4 |
SMILES | O(c1cc(cc(OC)c1OC)CNc1ccc(OC)cc1)C |
Title of publication | Synthesis of Symmetric and Unsymmetric Secondary Amines from the Ligand-Promoted Ruthenium-Catalyzed Deaminative Coupling Reaction of Primary Amines. |
Authors of publication | Arachchige, Pandula T Kirinde; Lee, Hanbin; Yi, Chae S. |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2018 |
Journal volume | 83 |
Journal issue | 9 |
Pages of publication | 4932 - 4947 |
a | 8.5915 ± 0.0002 Å |
b | 7.48777 ± 0.00015 Å |
c | 12.7605 ± 0.0004 Å |
α | 90° |
β | 108.58 ± 0.003° |
γ | 90° |
Cell volume | 778.11 ± 0.04 Å3 |
Cell temperature | 100 ± 0.3 K |
Ambient diffraction temperature | 100 ± 0.3 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 | 0.0321 |
Residual factor for significantly intense reflections | 0.0294 |
Weighted residual factors for significantly intense reflections | 0.0711 |
Weighted residual factors for all reflections included in the refinement | 0.0732 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.064 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/4035510.html
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