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Information card for entry 1503404
Preview
Coordinates | 1503404.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C22 H22 N2 O4 |
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Calculated formula | C22 H22 N2 O4 |
SMILES | c1(c(cc2[C@H]3[C@@H]4C(=O)N(C(=O)[C@@H]4CN3CCc2c1)c1ccccc1)OC)OC.c1(c(cc2[C@@H]3[C@H]4C(=O)N(C(=O)[C@H]4CN3CCc2c1)c1ccccc1)OC)OC |
Title of publication | Highly diastereoselective synthesis of substituted pyrrolidines using a sequence of azomethine ylide cycloaddition and nucleophilic cyclization. |
Authors of publication | Bélanger, Guillaume; Darsigny, Véronique; Doré, Michaël; Lévesque, François |
Journal of publication | Organic letters |
Year of publication | 2010 |
Journal volume | 12 |
Journal issue | 7 |
Pages of publication | 1396 - 1399 |
a | 8.95 ± 0.003 Å |
b | 14.718 ± 0.003 Å |
c | 15.388 ± 0.004 Å |
α | 102.52 ± 0.02° |
β | 92.08 ± 0.03° |
γ | 105.12 ± 0.02° |
Cell volume | 1901 ± 0.9 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 4 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.2189 |
Residual factor for significantly intense reflections | 0.0845 |
Weighted residual factors for significantly intense reflections | 0.2134 |
Weighted residual factors for all reflections included in the refinement | 0.2744 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.912 |
Diffraction radiation wavelength | 1.54176 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
176729 (current) | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1. |
1503404.cif |
91932 | 2013-12-28 | cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs. |
1503404.cif |
37277 | 2012-03-01 | ../uploads/cif-deposit/cod/cif Adding structures of 1503404 via cif-deposit CGI script. |
1503404.cif |
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Users of the data should acknowledge the original authors of the
structural data.