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Information card for entry 4030124
Preview
Coordinates | 4030124.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C22 H28 N2 O5 |
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Calculated formula | C22 H28 N2 O5 |
SMILES | O1C(=O)[C@H](C[C@H]1C(=O)NC(C)(C)C)c1n(c2c(c1)cccc2)C(=O)OC(C)(C)C |
Title of publication | Synthesis of chiral γ-lactones by one-pot sequential enantioselective organocatalytic michael addition of boronic acids and diastereoselective intramolecular passerini reaction. |
Authors of publication | Bos, Maxence; Riguet, Emmanuel |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2014 |
Journal volume | 79 |
Journal issue | 22 |
Pages of publication | 10881 - 10889 |
a | 9.3395 ± 0.0019 Å |
b | 9.881 ± 0.002 Å |
c | 11.877 ± 0.002 Å |
α | 90° |
β | 101.85 ± 0.03° |
γ | 90° |
Cell volume | 1072.7 ± 0.4 Å3 |
Cell temperature | 200 K |
Ambient diffraction temperature | 200 K |
Number of distinct elements | 4 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.1065 |
Residual factor for significantly intense reflections | 0.0754 |
Weighted residual factors for significantly intense reflections | 0.1916 |
Weighted residual factors for all reflections included in the refinement | 0.216 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.025 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
178480 (current) | 2016-03-21 | cif/4/03/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/03/01. |
4030124.cif |
131374 | 2015-02-07 | cif/ Updating files of 4030123, 4030124, 4030125 Original log message: Adding full bibliography for 4030123--4030125.cif. |
4030124.cif |
126212 | 2014-11-04 | cif/ Adding structures of 4030124 via cif-deposit CGI script. |
4030124.cif |
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Users of the data should acknowledge the original authors of the
structural data.