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Information card for entry 4122226
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Jmol._Canvas2D (Jmol) "jmolApplet0"[x]
Coordinates | 4122226.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | compound 3b |
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Formula | C22 H26 Br N O3 |
Calculated formula | C22 H26 Br N O3 |
SMILES | Brc1cc(c(cc1)N1C(=O)C[C@@H](C1=O)[C@@H](C)C1=CC(=O)CCC1)C(C)(C)C |
Title of publication | Remote Control of Axial Chirality: Aminocatalytic Desymmetrization of N-Arylmaleimides via Vinylogous Michael Addition. |
Authors of publication | Di Iorio, Nicola; Righi, Paolo; Mazzanti, Andrea; Mancinelli, Michele; Ciogli, Alessia; Bencivenni, Giorgio |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2014 |
Journal volume | 136 |
Journal issue | 29 |
Pages of publication | 10250 - 10253 |
a | 11.636 ± 0.002 Å |
b | 9.2863 ± 0.0018 Å |
c | 20.039 ± 0.004 Å |
α | 90° |
β | 105.279 ± 0.004° |
γ | 90° |
Cell volume | 2088.8 ± 0.7 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 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 | 0.0787 |
Residual factor for significantly intense reflections | 0.062 |
Weighted residual factors for significantly intense reflections | 0.1527 |
Weighted residual factors for all reflections included in the refinement | 0.1616 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.957 |
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/4122226.html
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Users of the data should acknowledge the original authors of the
structural data.