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Information card for entry 1503934
Preview
Coordinates | 1503934.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C18 H26 N2 O5 |
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Calculated formula | C18 H26 N2 O5 |
SMILES | O[C@@]1([C@H](N(=O)=O)[C@H](N(CC1)[C@@H](C(C)C)C(=O)OC)c1ccccc1)C |
Title of publication | One-pot asymmetric synthesis of substituted piperidines by exocyclic chirality induction. |
Authors of publication | Chen, Yunfeng; Zhong, Cheng; Petersen, Jeffrey L.; Akhmedov, Novruz G.; Shi, Xiaodong |
Journal of publication | Organic letters |
Year of publication | 2009 |
Journal volume | 11 |
Journal issue | 11 |
Pages of publication | 2333 - 2336 |
a | 10.3321 ± 0.0009 Å |
b | 12.9156 ± 0.0011 Å |
c | 14.6989 ± 0.0012 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1961.5 ± 0.3 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 4 |
Space group number | 19 |
Hermann-Mauguin space group symbol | P 21 21 21 |
Hall space group symbol | P 2ac 2ab |
Residual factor for all reflections | 0.0688 |
Residual factor for significantly intense reflections | 0.0464 |
Weighted residual factors for significantly intense reflections | 0.113 |
Weighted residual factors for all reflections included in the refinement | 0.1272 |
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 |
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. |
1503934.cif |
91932 | 2013-12-28 | cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs. |
1503934.cif |
39199 | 2012-03-07 | ../uploads/cif-deposit/cod/cif Adding structures of 1503930, 1503931, 1503932, 1503933, 1503934, 1503935, 1503936, 1503937, 1503938, 1503939, 1503940 via cif-deposit CGI script. |
1503934.cif |
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Users of the data should acknowledge the original authors of the
structural data.