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Information card for entry 1508755
Preview
Coordinates | 1508755.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C26 H22 Cl N O3 |
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Calculated formula | C26 H22.02 Cl N O3.01 |
SMILES | Clc1ccc2N(C(=O)[C@]3(O[C@@H](O)C(=C[C@H]3C)c3ccccc3)c2c1)Cc1ccccc1 |
Title of publication | Direct catalytic enantioselective vinylogous aldol reaction of α-branched enals with isatins. |
Authors of publication | Cassani, Carlo; Melchiorre, Paolo |
Journal of publication | Organic letters |
Year of publication | 2012 |
Journal volume | 14 |
Journal issue | 21 |
Pages of publication | 5590 - 5593 |
a | 26.891 ± 0.004 Å |
b | 6.5139 ± 0.0009 Å |
c | 13.524 ± 0.002 Å |
α | 90° |
β | 117.976 ± 0.007° |
γ | 90° |
Cell volume | 2092.1 ± 0.5 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 5 |
Space group number | 5 |
Hermann-Mauguin space group symbol | C 1 2 1 |
Hall space group symbol | C 2y |
Residual factor for all reflections | 0.0635 |
Residual factor for significantly intense reflections | 0.0441 |
Weighted residual factors for significantly intense reflections | 0.1027 |
Weighted residual factors for all reflections included in the refinement | 0.1092 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.051 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/1508755.html
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