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Information card for entry 4028287
Preview
Coordinates | 4028287.cif |
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Original paper (by DOI) | HTML |
Formula | C29 H22 N2 O3 |
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Calculated formula | C29 H22 N2 O3 |
SMILES | c1(ccccc1)C(=O)C(C(=O)c1ccccc1)=C(Nc1cccc(C)n1)C(=O)c1ccccc1 |
Title of publication | Synthesis of Tetrasubstituted Unsymmetrical 1,4-Enediones via Copper-Promoted Autotandem Catalysis and Air As the Oxidant |
Authors of publication | Yan Yang; Fan Ni; Wen-Ming Shu; Shang-Bo Yu; Meng Gao; An-Xin Wu |
Journal of publication | Journal of Organic Chemistry |
Year of publication | 2013 |
Journal volume | 78 |
Pages of publication | 5418 - 5426 |
a | 10.4137 ± 0.0016 Å |
b | 10.9877 ± 0.0017 Å |
c | 11.8481 ± 0.0019 Å |
α | 77.438 ± 0.002° |
β | 69.263 ± 0.002° |
γ | 86.112 ± 0.002° |
Cell volume | 1237.4 ± 0.3 Å3 |
Cell temperature | 298 ± 2 K |
Ambient diffraction temperature | 298 ± 2 K |
Number of distinct elements | 4 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0593 |
Residual factor for significantly intense reflections | 0.0491 |
Weighted residual factors for significantly intense reflections | 0.1542 |
Weighted residual factors for all reflections included in the refinement | 0.1754 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.019 |
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/4028287.html
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