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Information card for entry 7120806
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Coordinates | 7120806.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | ethyl 2-(4-chlorophenyl)-3-methyl-2,3-dihydro-1H-cyclopenta[c]quinoline-4-carboxylate |
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Formula | C22 H20 Cl N O2 |
Calculated formula | C22 H20 Cl N O2 |
SMILES | Clc1ccc([C@@H]2Cc3c(c(nc4ccccc34)C(=O)OCC)[C@@H]2C)cc1.Clc1ccc([C@H]2Cc3c(c(nc4ccccc34)C(=O)OCC)[C@H]2C)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 | 8.1448 ± 0.0013 Å |
b | 10.1417 ± 0.0016 Å |
c | 12.1318 ± 0.0019 Å |
α | 107.878 ± 0.003° |
β | 104.781 ± 0.003° |
γ | 99.492 ± 0.003° |
Cell volume | 889.4 ± 0.2 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 | 0.0731 |
Residual factor for significantly intense reflections | 0.0472 |
Weighted residual factors for significantly intense reflections | 0.1271 |
Weighted residual factors for all reflections included in the refinement | 0.1446 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.001 |
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/7120806.html
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