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Information card for entry 1501954
Preview
| Coordinates | 1501954.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C21 H21 N O5 |
|---|---|
| Calculated formula | C21 H21 N O5 |
| SMILES | OC[C@]12[C@@H]([C@@H](N(=O)=O)[C@@H]([C@H]1COC(=O)C2)c1ccccc1)c1ccccc1 |
| Title of publication | Enantioselective organocatalytic Michael-Wittig-Michael-Michael reaction: dichotomous construction of pentasubstituted cyclopentanecarbaldehydes and pentasubstituted cyclohexanecarbaldehydes. |
| Authors of publication | Hong, Bor-Cherng; Nimje, Roshan Y.; Lin, Cheng-Wei; Liao, Ju-Hsiou |
| Journal of publication | Organic letters |
| Year of publication | 2011 |
| Journal volume | 13 |
| Journal issue | 6 |
| Pages of publication | 1278 - 1281 |
| a | 11.5628 ± 0.001 Å |
| b | 8.5095 ± 0.0007 Å |
| c | 18.608 ± 0.0016 Å |
| α | 90° |
| β | 91.064 ± 0.002° |
| γ | 90° |
| Cell volume | 1830.6 ± 0.3 Å3 |
| Cell temperature | 294 ± 2 K |
| Ambient diffraction temperature | 294 ± 2 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 | 0.0927 |
| Residual factor for significantly intense reflections | 0.0699 |
| Weighted residual factors for significantly intense reflections | 0.1334 |
| Weighted residual factors for all reflections included in the refinement | 0.1439 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.124 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| 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. |
1501954.cif |
| 139747 | 2015-06-28 | cif/1 Fixing some Z values and formulae |
1501954.cif |
| 91932 | 2013-12-28 | cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs. |
1501954.cif |
| 35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
1501954.cif |
| 35292 | 2012-02-26 | ../uploads/cif-deposit/cod/cif Adding structures of 1501954 via cif-deposit CGI script. |
1501954.cif |
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