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Information card for entry 7115439
Preview
Coordinates | 7115439.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C22 H13 Cl N2 O |
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Calculated formula | C22 H13 Cl N2 O |
SMILES | c1cccc2c(c(c(C#N)n12)C(=O)c1ccccc1)c1ccccc1Cl |
Title of publication | Formal [3+2] cycloaddition of 1-cyanocyclopropane 1-ester with pyridine, quinoline or isoquinoline: a general and efficient strategy for construction of cyanoindolizine skeletons |
Authors of publication | Juanjuan Liu; Lanxiang Zhou; Weijian Ye; Cunde Wang |
Journal of publication | Chem.Commun. |
Year of publication | 2014 |
Journal volume | 50 |
Pages of publication | 9068 |
a | 23.071 ± 0.003 Å |
b | 10.7768 ± 0.0013 Å |
c | 14.3886 ± 0.0019 Å |
α | 90° |
β | 102.951 ± 0.004° |
γ | 90° |
Cell volume | 3486.5 ± 0.8 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 5 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.14 |
Residual factor for significantly intense reflections | 0.0698 |
Weighted residual factors for significantly intense reflections | 0.1838 |
Weighted residual factors for all reflections included in the refinement | 0.2268 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.033 |
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/7115439.html
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