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Information card for entry 1529322
Preview
Coordinates | 1529322.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | Ethyl 3-isopropyl-1-(4-methoxyphenyl)-5-(o-tolyl)-1H-pyrrole-2-carboxylate |
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Formula | C24 H27 N O3 |
Calculated formula | C24 H27 N O3 |
SMILES | c1(c(cc(c2c(C)cccc2)n1c1ccc(cc1)OC)C(C)C)C(=O)OCC |
Title of publication | Copper-catalyzed condensation of imines and α-diazo-β-dicarbonyl compounds: modular and regiocontrolled synthesis of multisubstituted pyrroles |
Authors of publication | Tan, Wei Wen; Yoshikai, Naohiko |
Journal of publication | Chem. Sci. |
Year of publication | 2015 |
Journal volume | 6 |
Journal issue | 11 |
Pages of publication | 6448 |
a | 11.3191 ± 0.0005 Å |
b | 11.464 ± 0.0005 Å |
c | 18.1291 ± 0.0007 Å |
α | 93.847 ± 0.003° |
β | 101.554 ± 0.003° |
γ | 114.578 ± 0.003° |
Cell volume | 2065.9 ± 0.17 Å3 |
Cell temperature | 103 ± 2 K |
Ambient diffraction temperature | 103 ± 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 | 0.0902 |
Residual factor for significantly intense reflections | 0.0515 |
Weighted residual factors for significantly intense reflections | 0.1329 |
Weighted residual factors for all reflections included in the refinement | 0.1745 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.03 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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