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Information card for entry 7150328
Preview
Coordinates | 7150328.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C13 H18 N4 O2 |
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Calculated formula | C13 H18 N4 O2 |
SMILES | O=N(=O)c1ccc(nc1/C=C/N(C)C)/C=C/N(C)C |
Title of publication | Microwave assisted Leimgruber-Batcho reaction for the preparation of indoles, azaindoles and pyrroylquinolines. |
Authors of publication | Siu, Jason; Baxendale, Ian R.; Ley, Steven V. |
Journal of publication | Organic & biomolecular chemistry |
Year of publication | 2004 |
Journal volume | 2 |
Journal issue | 2 |
Pages of publication | 160 - 167 |
a | 11.8517 ± 0.0004 Å |
b | 7.48 ± 0.0002 Å |
c | 15.7266 ± 0.0006 Å |
α | 90° |
β | 96.839 ± 0.001° |
γ | 90° |
Cell volume | 1384.25 ± 0.08 Å3 |
Cell temperature | 180 ± 2 K |
Ambient diffraction temperature | 180 ± 2 K |
Number of distinct elements | 4 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0765 |
Residual factor for significantly intense reflections | 0.0606 |
Weighted residual factors for significantly intense reflections | 0.1483 |
Weighted residual factors for all reflections included in the refinement | 0.1589 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.064 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7150328.html
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