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Information card for entry 1518109
Preview
Coordinates | 1518109.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C34 H25 Cl2 N3 O8 |
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Calculated formula | C34 H25 Cl2 N3 O8 |
SMILES | Clc1c(N(=O)=O)cc2[C@H]3[C@@H](N(=O)=O)[C@@H](C(=C[C@@H]3[C@H](Cc2c1N(=O)=O)c1ccccc1)COC(=O)c1ccc(Cl)cc1)c1ccccc1 |
Title of publication | Organocatalytic enantioselective Michael-Michael-Michael-aldol condensation reactions: control of five stereocenters in a quadruple-cascade asymmetric synthesis of highly functionalized hexahydrophenanthrenes. |
Authors of publication | Raja, Arun; Hong, Bor-Cherng; Lee, Gene-Hsiang |
Journal of publication | Organic letters |
Year of publication | 2014 |
Journal volume | 16 |
Journal issue | 21 |
Pages of publication | 5756 - 5759 |
a | 9.1287 ± 0.0002 Å |
b | 14.7136 ± 0.0003 Å |
c | 22.5741 ± 0.0004 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 3032.06 ± 0.11 Å3 |
Cell temperature | 200 ± 2 K |
Ambient diffraction temperature | 200 ± 2 K |
Number of distinct elements | 5 |
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 | 0.0639 |
Residual factor for significantly intense reflections | 0.0374 |
Weighted residual factors for significantly intense reflections | 0.0782 |
Weighted residual factors for all reflections included in the refinement | 0.0853 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.007 |
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. |
1518109.cif |
127276 | 2014-11-12 | cif/ Updating files of 1518109 Original log message: Adding full bibliography for 1518109.cif. |
1518109.cif |
125790 | 2014-10-23 | cif/ Adding structures of 1518109 via cif-deposit CGI script. |
1518109.cif |
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Users of the data should acknowledge the original authors of the
structural data.