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Information card for entry 1553138
Preview
Coordinates | 1553138.cif |
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Original paper (by DOI) | HTML |
Formula | C17 H18 N2 O3 |
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Calculated formula | C17 H18 N2 O3 |
SMILES | O=N(=Nc1ccc(cc1)C)c1ccc(cc1OC(=O)CC)C |
Title of publication | Palladium-catalyzed direct ortho C‒O bond construction of azoxybenzenes with carboxylic acids and alcohols |
Authors of publication | Zhang, Duo; Cui, Xiuling; Yang, Fangfang; Zhang, Qianqian; Zhu, Yu; Wu, Yangjie |
Journal of publication | Organic Chemistry Frontiers |
Year of publication | 2015 |
Journal volume | 2 |
Journal issue | 8 |
Pages of publication | 951 |
a | 6.8879 ± 0.0009 Å |
b | 8.282 ± 0.0009 Å |
c | 14.4023 ± 0.001 Å |
α | 104.655 ± 0.008° |
β | 94.121 ± 0.009° |
γ | 91.668 ± 0.01° |
Cell volume | 791.85 ± 0.15 Å3 |
Cell temperature | 291 ± 2 K |
Ambient diffraction temperature | 291.15 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 | 0.0839 |
Residual factor for significantly intense reflections | 0.0508 |
Weighted residual factors for significantly intense reflections | 0.1181 |
Weighted residual factors for all reflections included in the refinement | 0.1377 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.026 |
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/1553138.html
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