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Information card for entry 4033083
Preview
Coordinates | 4033083.cif |
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Original paper (by DOI) | HTML |
Chemical name | Ethyl 2-(3-ethoxy-3-oxopropanamido)-4,6-dimethylnicotinate |
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Formula | C15 H20 N2 O5 |
Calculated formula | C15 H20 N2 O5 |
Title of publication | The Elusive Paal-Knorr Intermediates in the Trofimov Synthesis of Pyrroles: Experimental and Theoretical Studies. |
Authors of publication | Sączewski, Jarosław; Fedorowicz, Joanna; Gdaniec, Maria; Wiśniewska, Paulina; Sieniawska, Emilia; Drażba, Zuzanna; Rzewnicka, Justyna; Balewski, Łukasz |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2017 |
Journal volume | 82 |
Journal issue | 18 |
Pages of publication | 9737 - 9743 |
a | 10.9426 ± 0.0006 Å |
b | 17.63 ± 0.0011 Å |
c | 8.9922 ± 0.0005 Å |
α | 90° |
β | 112.155 ± 0.005° |
γ | 90° |
Cell volume | 1606.68 ± 0.17 Å3 |
Cell temperature | 294 K |
Ambient diffraction temperature | 294 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 | 0.0787 |
Residual factor for significantly intense reflections | 0.05 |
Weighted residual factors for significantly intense reflections | 0.123 |
Weighted residual factors for all reflections included in the refinement | 0.1396 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.033 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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