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Information card for entry 7120805
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Coordinates | 7120805.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | KC-695 |
---|---|
Formula | C26 H20 Cl N O2 |
Calculated formula | C26 H20 Cl N O2 |
SMILES | Clc1ccc(C2Cc3c4ccccc4nc(c3C2)C(=O)OCc2ccccc2)cc1 |
Title of publication | A Serendipitous Cascade of Rhodium Vinylcarbenoids with Aminochalcones for the Synthesis of Functionalized Quinolines |
Authors of publication | Chinthapally, Kiran; Massaro, Nicholas P.; Padgett, Haylee L.; Sharma, Indrajeet |
Journal of publication | Chem. Commun. |
Year of publication | 2017 |
a | 7.528 ± 0.003 Å |
b | 9.407 ± 0.003 Å |
c | 15.201 ± 0.005 Å |
α | 92.924 ± 0.005° |
β | 101.019 ± 0.005° |
γ | 110.77 ± 0.005° |
Cell volume | 979.6 ± 0.6 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0867 |
Residual factor for significantly intense reflections | 0.0623 |
Weighted residual factors for significantly intense reflections | 0.1419 |
Weighted residual factors for all reflections included in the refinement | 0.1543 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.997 |
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/7120805.html
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Users of the data should acknowledge the original authors of the
structural data.