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Information card for entry 4031096
Preview
Coordinates | 4031096.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C25 H32 N2 O5 S |
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Calculated formula | C25 H32 N2 O5 S |
SMILES | S(=O)(=O)(/N=C(/N(C(C)C)C(C)C)\C(=C/c1c(O)cccc1)C(=O)OCC)c1ccc(cc1)C |
Title of publication | Microwave-Assisted Copper-Catalyzed Four-Component Tandem Synthesis of 3-N-Sulfonylamidine Coumarins. |
Authors of publication | Murugavel, Govindarasu; Punniyamurthy, Tharmalingam |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2015 |
Journal volume | 80 |
Journal issue | 12 |
Pages of publication | 6291 - 6299 |
a | 8.2829 ± 0.0012 Å |
b | 10.089 ± 0.0015 Å |
c | 30.145 ± 0.004 Å |
α | 90° |
β | 91.266 ± 0.008° |
γ | 90° |
Cell volume | 2518.5 ± 0.6 Å3 |
Cell temperature | 298 ± 2 K |
Ambient diffraction temperature | 298 ± 2 K |
Number of distinct elements | 5 |
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 | 0.0672 |
Residual factor for significantly intense reflections | 0.0459 |
Weighted residual factors for significantly intense reflections | 0.1239 |
Weighted residual factors for all reflections included in the refinement | 0.1365 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.043 |
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/4031096.html
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