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Information card for entry 1504672
Preview
| Coordinates | 1504672.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C21 H34 O5 |
|---|---|
| Calculated formula | C21 H34 O5 |
| SMILES | O[C@]1([C@@]2(CC[C@H](C1)C2(C)C)C)C(=O)CC[C@@](C(=O)OC(C)C)(C(=O)C)C |
| Title of publication | Catalytic Michael reactions of ketoesters with a camphor-derived acrylate equivalent: stereoselective access to all-carbon quaternary centers. |
| Authors of publication | Palomo, Claudio; Oiarbide, Mikel; García, Jesús M; Bañuelos, Patricia; Odriozola, José M; Razkin, Jesús; Linden, Anthony |
| Journal of publication | Organic letters |
| Year of publication | 2008 |
| Journal volume | 10 |
| Journal issue | 13 |
| Pages of publication | 2637 - 2640 |
| a | 6.5252 ± 0.0003 Å |
| b | 11.736 ± 0.0005 Å |
| c | 26.8237 ± 0.0012 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2054.15 ± 0.16 Å3 |
| Cell temperature | 160 ± 1 K |
| Ambient diffraction temperature | 160 ± 1 K |
| Number of distinct elements | 3 |
| 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 | 0.0917 |
| Residual factor for significantly intense reflections | 0.0535 |
| Weighted residual factors for significantly intense reflections | 0.0991 |
| Weighted residual factors for all reflections included in the refinement | 0.1159 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.135 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 211332 (current) | 2018-10-05 | cif/ Fixing enumeration values for CIF data items _atom_sites_solution_* using cif_fix_values. Data item relocations and exclusion of CIF comment lines might have occurred due to the usage of cif_filter. |
1504672.cif |
| 176729 | 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. |
1504672.cif |
| 91932 | 2013-12-28 | cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs. |
1504672.cif |
| 42276 | 2012-03-13 | ../uploads/cif-deposit/cod/cif Adding structures of 1504672, 1504673 via cif-deposit CGI script. |
1504672.cif |
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Users of the data should acknowledge the original authors of the
structural data.