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Information card for entry 4036995
Preview
Coordinates | 4036995.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C17 H15 N |
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Calculated formula | C17 H15 N |
SMILES | CCc1ccc(cc1)c1cnc2c(c1)cccc2 |
Title of publication | Regioselective Synthesis of C-3-Functionalized Quinolines via Hetero-Diels-Alder Cycloaddition of Azadienes with Terminal Alkynes. |
Authors of publication | Saunthwal, Rakesh K.; Patel, Monika; Verma, Akhilesh K. |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2016 |
Journal volume | 81 |
Journal issue | 15 |
Pages of publication | 6563 - 6572 |
a | 5.7496 ± 0.0005 Å |
b | 14.9245 ± 0.0015 Å |
c | 15.4463 ± 0.0015 Å |
α | 99.866 ± 0.009° |
β | 93.978 ± 0.008° |
γ | 96.051 ± 0.008° |
Cell volume | 1293.4 ± 0.2 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 3 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.1587 |
Residual factor for significantly intense reflections | 0.0805 |
Weighted residual factors for significantly intense reflections | 0.1942 |
Weighted residual factors for all reflections included in the refinement | 0.2319 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.029 |
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/4036995.html
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