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Information card for entry 1512575
Preview
Coordinates | 1512575.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | 6-methoxy-2-phenylquinoxaline |
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Formula | C15 H12 N2 O |
Calculated formula | C15 H12 N2 O |
SMILES | O(c1ccc2nc(cnc2c1)c1ccccc1)C |
Title of publication | A Simple and Straightforward Approach to Quinoxalines by Iron/Sulfur-Catalyzed Redox Condensation ofo-Nitroanilines and Phenethylamines |
Authors of publication | Nguyen, Thanh Binh; Retailleau, Pascal; Al-Mourabit, Ali |
Journal of publication | Organic Letters |
Year of publication | 2013 |
Journal volume | 15 |
Journal issue | 20 |
Pages of publication | 5238 |
a | 16.03 ± 0.002 Å |
b | 3.957 ± 0.001 Å |
c | 22.244 ± 0.004 Å |
α | 90° |
β | 123.614 ± 0.002° |
γ | 90° |
Cell volume | 1175 ± 0.4 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 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 | 0.0781 |
Residual factor for significantly intense reflections | 0.0518 |
Weighted residual factors for significantly intense reflections | 0.1353 |
Weighted residual factors for all reflections included in the refinement | 0.158 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.022 |
Diffraction radiation wavelength | 0.7107 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/1512575.html
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