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Information card for entry 4513937
Preview
Coordinates | 4513937.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C25 H18 O3 |
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Calculated formula | C25 H18 O3 |
SMILES | c12c3ccccc3oc(=O)c1C(=CC(c1ccccc1)(C)O2)c1ccccc1 |
Title of publication | Facile Synthesis of Azaarene-Substituted Hydroxycoumarins Possessing High Biological Activities via Three-Component C(sp(3))-H Functionalization. |
Authors of publication | Dong, Haoxun; Xu, Lubin; Li, Shuai-Shuai; Wang, Liang; Shao, Chang-Lun; Xiao, Jian |
Journal of publication | ACS combinatorial science |
Year of publication | 2016 |
Journal volume | 18 |
Journal issue | 9 |
Pages of publication | 604 - 610 |
a | 13.378 ± 0.001 Å |
b | 9.446 ± 0.0007 Å |
c | 15.071 ± 0.0011 Å |
α | 90° |
β | 99.42 ± 0.002° |
γ | 90° |
Cell volume | 1878.8 ± 0.2 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 3 |
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 | 0.0443 |
Residual factor for significantly intense reflections | 0.0425 |
Weighted residual factors for significantly intense reflections | 0.1154 |
Weighted residual factors for all reflections included in the refinement | 0.1174 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.026 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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