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Information card for entry 1508757
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Coordinates | 1508757.cif |
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Original paper (by DOI) | HTML |
Formula | C39 H43 N3 O5 Si |
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Calculated formula | C39 H43 N3 O5 Si |
SMILES | C(c1ccccc1)(c1ccccc1)([C@@H]1CCCN1[C@H]1C(=C[C@H]([C@H]([C@@H]1N(=O)=O)c1ccc(cc1)N(=O)=O)C)c1ccccc1)O[Si](C)(C)C |
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 | 10.6855 ± 0.0016 Å |
b | 9.3798 ± 0.0015 Å |
c | 18.076 ± 0.003 Å |
α | 90° |
β | 99.839 ± 0.005° |
γ | 90° |
Cell volume | 1785.1 ± 0.5 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 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 | 0.0737 |
Residual factor for significantly intense reflections | 0.0539 |
Weighted residual factors for significantly intense reflections | 0.1244 |
Weighted residual factors for all reflections included in the refinement | 0.1394 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.024 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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