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Information card for entry 4030302
Preview
Coordinates | 4030302.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C17 H19 N O4 |
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Calculated formula | C17 H19 N O4 |
SMILES | O(C)c1c(OC)cc(C(=O)NCc2ccccc2)cc1OC |
Title of publication | Radical-Induced Metal and Solvent-Free Cross-Coupling Using TBAI-TBHP: Oxidative Amidation of Aldehydes and Alcohols with N-Chloramines via C-H Activation. |
Authors of publication | Achar, Tapas Kumar; Mal, Prasenjit |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2014 |
Journal volume | 80 |
Journal issue | 1 |
Pages of publication | 666 |
a | 22.9995 ± 0.0008 Å |
b | 5.0912 ± 0.0002 Å |
c | 12.9419 ± 0.0005 Å |
α | 90° |
β | 95.103 ± 0.003° |
γ | 90° |
Cell volume | 1509.43 ± 0.1 Å3 |
Cell temperature | 298 ± 2 K |
Ambient diffraction temperature | 298 ± 2 K |
Number of distinct elements | 4 |
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 | 0.0576 |
Residual factor for significantly intense reflections | 0.0399 |
Weighted residual factors for significantly intense reflections | 0.097 |
Weighted residual factors for all reflections included in the refinement | 0.109 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.016 |
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/4030302.html
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