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Information card for entry 1503433
Preview
| Coordinates | 1503433.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C19 H17 N O4 |
|---|---|
| Calculated formula | C19 H17 N O4 |
| SMILES | O(C(=O)/C(=C/c1ccccc1)/C=C/c1cccc(N(=O)=O)c1)CC |
| Title of publication | Wittig olefination between phosphine, aldehyde, and allylic carbonate: a general method for stereoselective synthesis of trisubstituted 1,3-dienes with highly variable substituents. |
| Authors of publication | Zhou, Rong; Wang, Chunzhang; Song, Haibin; He, Zhengjie |
| Journal of publication | Organic letters |
| Year of publication | 2010 |
| Journal volume | 12 |
| Journal issue | 5 |
| Pages of publication | 976 - 979 |
| a | 16.035 ± 0.003 Å |
| b | 13.589 ± 0.003 Å |
| c | 7.4609 ± 0.0015 Å |
| α | 90° |
| β | 93.89 ± 0.03° |
| γ | 90° |
| Cell volume | 1622 ± 0.6 Å3 |
| Cell temperature | 113 ± 2 K |
| Ambient diffraction temperature | 113 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0504 |
| Residual factor for significantly intense reflections | 0.0418 |
| Weighted residual factors for significantly intense reflections | 0.1049 |
| Weighted residual factors for all reflections included in the refinement | 0.1109 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.04 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301775 (current) | 2025-08-18 | Add cross-references to PubChem compounds in COD range 1/50 Each referenced PubChem compound corresponds to the full crystal structure. |
1503433.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. |
1503433.cif |
| 91932 | 2013-12-28 | cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs. |
1503433.cif |
| 37304 | 2012-03-01 | ../uploads/cif-deposit/cod/cif Adding structures of 1503433 via cif-deposit CGI script. |
1503433.cif |
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Users of the data should acknowledge the original authors of the
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