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Information card for entry 4033003
Preview
Coordinates | 4033003.cif |
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Original paper (by DOI) | HTML |
Formula | C23 H21 N3 O2 |
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Calculated formula | C23 H21 N3 O2 |
SMILES | N1(c2nc(c3ccccc3)cc3nc4c(cc(OC)cc4)cc23)CCOCC1 |
Title of publication | Pd-Catalyzed One-Pot Stepwise Synthesis of Benzo[b][1,6]naphthyridines from 2-Chloroquinoline-3-carbonitriles Using Sulfur and Amines As Nucleophiles. |
Authors of publication | Kumar, Ritush; Asthana, Mrityunjaya; Singh, Radhey M. |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2017 |
Journal volume | 82 |
Journal issue | 21 |
Pages of publication | 11531 - 11542 |
a | 19.569 ± 0.005 Å |
b | 7.808 ± 0.005 Å |
c | 24.645 ± 0.005 Å |
α | 90 ± 0.005° |
β | 95.082 ± 0.005° |
γ | 90 ± 0.005° |
Cell volume | 3751 ± 3 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 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 | 0.1331 |
Residual factor for significantly intense reflections | 0.0816 |
Weighted residual factors for significantly intense reflections | 0.2041 |
Weighted residual factors for all reflections included in the refinement | 0.2416 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.053 |
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/4033003.html
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