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Information card for entry 4030328
Preview
Coordinates | 4030328.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C14 H18 N2 O5 |
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Calculated formula | C14 H18 N2 O5 |
SMILES | c1(c(cc(cc1)N(=O)=O)CC(=O)OC)C(=O)NC(C)(C)C |
Title of publication | Ir(III)-Catalyzed Aromatic C-H Bond Functionalization via Metal Carbene Migratory Insertion. |
Authors of publication | Xia, Ying; Liu, Zhen; Feng, Sheng; Zhang, Yan; Wang, Jianbo |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2014 |
Journal volume | 80 |
Journal issue | 1 |
Pages of publication | 223 |
a | 17.6047 ± 0.0009 Å |
b | 17.8743 ± 0.001 Å |
c | 9.7826 ± 0.0005 Å |
α | 90° |
β | 100.979 ± 0.005° |
γ | 90° |
Cell volume | 3022 ± 0.3 Å3 |
Cell temperature | 180 ± 0.1 K |
Ambient diffraction temperature | 180 ± 0.1 K |
Number of distinct elements | 4 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0862 |
Residual factor for significantly intense reflections | 0.0524 |
Weighted residual factors for significantly intense reflections | 0.1106 |
Weighted residual factors for all reflections included in the refinement | 0.1277 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.085 |
Diffraction radiation wavelength | 0.7107 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4030328.html
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