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Information card for entry 1542388
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Coordinates | 1542388.cif |
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Original paper (by DOI) | HTML |
Formula | C12 H14 N2 O2 |
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Calculated formula | C12 H11 N2 O2 |
SMILES | O=C1OCC(NN=C1c1ccccc1)(C)C |
Title of publication | Fe-Catalyzed Olefin Hydroamination with Diazo Compounds for Hydrazone Synthesis. |
Authors of publication | Zheng, Jing; Qi, Jifeng; Cui, Sunliang |
Journal of publication | Organic letters |
Year of publication | 2016 |
Journal volume | 18 |
Journal issue | 1 |
Pages of publication | 128 - 131 |
a | 22.2134 ± 0.0018 Å |
b | 5.773 ± 0.0005 Å |
c | 19.6734 ± 0.0016 Å |
α | 90° |
β | 115.56 ± 0.0014° |
γ | 90° |
Cell volume | 2276 ± 0.3 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 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 | 0.0993 |
Residual factor for significantly intense reflections | 0.082 |
Weighted residual factors for significantly intense reflections | 0.2294 |
Weighted residual factors for all reflections included in the refinement | 0.2466 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.072 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
217633 (current) | 2019-08-21 | cif/1: Fixing Z values and formulae |
1542388.cif |
175748 | 2016-02-04 | cif/ Adding structures of 1542388 via cif-deposit CGI script. |
1542388.cif |
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