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Information card for entry 7156116
Preview
Coordinates | 7156116.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C17 H14 Cl N O5 |
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Calculated formula | C17 H14 Cl N O5 |
SMILES | Clc1cc(C(=O)O[C@H]2Oc3c([C@H](C2)CN(=O)=O)cccc3)ccc1 |
Title of publication | Organocatalytic asymmetric Michael/hemiacetalization/acyl transfer reaction of α-nitroketones with o-hydroxycinnamaldehydes: synthesis of 2,4-disubstituted chromans. |
Authors of publication | Maity, Rajendra; Pan, Subhas Chandra |
Journal of publication | Organic & biomolecular chemistry |
Year of publication | 2018 |
Journal volume | 16 |
Journal issue | 9 |
Pages of publication | 1598 - 1608 |
a | 7.5946 ± 0.0003 Å |
b | 13.4938 ± 0.0006 Å |
c | 15.8269 ± 0.0007 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1621.94 ± 0.12 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 5 |
Space group number | 19 |
Hermann-Mauguin space group symbol | P 21 21 21 |
Hall space group symbol | P 2ac 2ab |
Residual factor for all reflections | 0.0577 |
Residual factor for significantly intense reflections | 0.0433 |
Weighted residual factors for significantly intense reflections | 0.1073 |
Weighted residual factors for all reflections included in the refinement | 0.1193 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.991 |
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/7156116.html
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