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Information card for entry 1508773
Preview
| Coordinates | 1508773.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider; PubChem |
| Formula | C17 H21 N O4 |
|---|---|
| Calculated formula | C17 H21 N O4 |
| SMILES | C1(=O)CC[C@H](C/C=C/C(=O)OCC)N1c1ccc(cc1)OC |
| Title of publication | A General Organocatalytic Approach toward the Enantioselective Total Synthesis of Indolizidine Based Alkaloids. |
| Authors of publication | Abels, Falko; Lindemann, Chris; Koch, Eva; Schneider, Christoph |
| Journal of publication | Organic letters |
| Year of publication | 2012 |
| Journal volume | 14 |
| Journal issue | 23 |
| Pages of publication | 5972 - 5975 |
| a | 5.78493 ± 0.00007 Å |
| b | 12.86729 ± 0.00013 Å |
| c | 21.7765 ± 0.0002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1620.96 ± 0.03 Å3 |
| Cell temperature | 130 ± 2 K |
| Ambient diffraction temperature | 130 ± 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 | 0.0353 |
| Residual factor for significantly intense reflections | 0.0351 |
| Weighted residual factors for significantly intense reflections | 0.094 |
| Weighted residual factors for all reflections included in the refinement | 0.0942 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.012 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| 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. |
1508773.cif |
| 201954 | 2017-10-13 | cif/ Marking COD entries in range 1 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
1508773.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. |
1508773.cif |
| 91932 | 2013-12-28 | cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs. |
1508773.cif |
| 72243 | 2013-01-21 | cif/ Adding structures of 1508773, 1508774 via cif-deposit CGI script. |
1508773.cif |
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Users of the data should acknowledge the original authors of the
structural data.