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Information card for entry 1555509
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Coordinates | 1555509.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C17 H18 Cl N O5 |
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Calculated formula | C17 H18 Cl N O5 |
SMILES | Clc1ccc(cc1)[C@H]1[C@H](N(=O)=O)[C@]2(O)[C@](C[C@@H]1C=O)(C(=O)CC2)C |
Title of publication | Organocatalytic Enantioselective Michael-Michael-Henry Reaction Cascade. An Entry to Highly Functionalized Hajos-Parrish-Type Ketones with Five to Six Contiguous Stereogenic Centers and Two Quaternary Carbons. |
Authors of publication | Raja, Arun; Hong, Bor-Cherng; Liao, Ju-Hsiou; Lee, Gene-Hsiang |
Journal of publication | Organic letters |
Year of publication | 2016 |
Journal volume | 18 |
Journal issue | 8 |
Pages of publication | 1760 - 1763 |
a | 6.891 ± 0.002 Å |
b | 11.883 ± 0.004 Å |
c | 20.413 ± 0.007 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1671.5 ± 0.9 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 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 | 0.0411 |
Residual factor for significantly intense reflections | 0.0365 |
Weighted residual factors for significantly intense reflections | 0.0976 |
Weighted residual factors for all reflections included in the refinement | 0.1119 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.207 |
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/1555509.html
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