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Information card for entry 7156103
Preview
Coordinates | 7156103.cif |
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Original paper (by DOI) | HTML |
Formula | C23 H13 Cl F3 N3 O |
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Calculated formula | C23 H13 Cl F3 N3 O |
SMILES | c1(ccc(cc1)N1C(=O)c2ccccc2n2c1cnc2c1ccc(cc1)C(F)(F)F)Cl |
Title of publication | Iodine promoted dual oxidative C(sp<sup>3</sup>)-H amination of 2-methyl-3-arylquinazolin-4(3H)-ones: a facile route to 1,4-diarylimidazo[1,5-a]quinazolin-5(4H)-ones. |
Authors of publication | Donthiboina, Kavitha; Namballa, Hari Krishna; Shaik, Siddiq Pasha; Nanubolu, Jagadeesh Babu; Shankaraiah, Nagula; Kamal, Ahmed |
Journal of publication | Organic & biomolecular chemistry |
Year of publication | 2018 |
Journal volume | 16 |
Journal issue | 10 |
Pages of publication | 1720 - 1727 |
a | 9.584 ± 0.005 Å |
b | 9.866 ± 0.004 Å |
c | 11.366 ± 0.006 Å |
α | 80.384 ± 0.009° |
β | 84.059 ± 0.012° |
γ | 66.028 ± 0.01° |
Cell volume | 967.5 ± 0.8 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0515 |
Residual factor for significantly intense reflections | 0.0424 |
Weighted residual factors for significantly intense reflections | 0.1173 |
Weighted residual factors for all reflections included in the refinement | 0.1245 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.047 |
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/7156103.html
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