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Information card for entry 7156671
Preview
Coordinates | 7156671.cif |
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Original paper (by DOI) | HTML |
Chemical name | (2R,3R,3aR,9bR)-3a-(2-oxo-2-phenylethyl)-3-phenyl-3,3a,4',5'-tetrahydro-1H,2'H-spiro[chromeno[4,3-b]pyrrole-2,3'-furan]-2',4(9bH)-dione |
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Formula | C29 H25 Cl2 N O5 |
Calculated formula | C29 H25 Cl2 N O5 |
Title of publication | α,β-Unsaturated butenolides in an organocatalytic doubly annulative cascade for the preparation of 3,4-dihydrocoumarins. |
Authors of publication | Kowalczyk-Dworak, Dorota; Albrecht, Łukasz |
Journal of publication | Organic & biomolecular chemistry |
Year of publication | 2019 |
Journal volume | 17 |
Journal issue | 10 |
Pages of publication | 2624 - 2628 |
a | 11.4706 ± 0.0001 Å |
b | 12.9944 ± 0.0001 Å |
c | 17.0882 ± 0.0001 Å |
α | 90° |
β | 95.055 ± 0.001° |
γ | 90° |
Cell volume | 2537.15 ± 0.03 Å3 |
Cell temperature | 100 ± 0.1 K |
Ambient diffraction temperature | 100 ± 0.1 K |
Number of distinct elements | 5 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.0319 |
Residual factor for significantly intense reflections | 0.0317 |
Weighted residual factors for significantly intense reflections | 0.0866 |
Weighted residual factors for all reflections included in the refinement | 0.0867 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.907 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
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/7156671.html
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