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Information card for entry 1504219
Preview
| Coordinates | 1504219.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider; PubChem |
| Formula | C26 H33 N O3 Si |
|---|---|
| Calculated formula | C26 H33 N O3 Si |
| SMILES | [Si]([C@H]1CCC[C@@]23N(CCc4c2cc(OC)c(OC)c4)C(=O)C[C@H]13)(C)(C)c1ccccc1 |
| Title of publication | Efficient formal total synthesis of the erythrina alkaloid (+)-erysotramidine, using a domino process. |
| Authors of publication | Tietze, Lutz F.; Tölle, Nina; Kratzert, Daniel; Stalke, Dietmar |
| Journal of publication | Organic letters |
| Year of publication | 2009 |
| Journal volume | 11 |
| Journal issue | 22 |
| Pages of publication | 5230 - 5233 |
| a | 7.718 ± 0.003 Å |
| b | 11.898 ± 0.005 Å |
| c | 14.296 ± 0.006 Å |
| α | 96.932 ± 0.006° |
| β | 103.456 ± 0.006° |
| γ | 108.338 ± 0.007° |
| Cell volume | 1184.9 ± 0.8 Å3 |
| Cell temperature | 100 ± 0.5 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 1 |
| Hermann-Mauguin space group symbol | P 1 |
| Hall space group symbol | P 1 |
| Residual factor for all reflections | 0.0373 |
| Residual factor for significantly intense reflections | 0.0329 |
| Weighted residual factors for significantly intense reflections | 0.1008 |
| Weighted residual factors for all reflections included in the refinement | 0.104 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.042 |
| 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. |
1504219.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. |
1504219.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. |
1504219.cif |
| 91932 | 2013-12-28 | cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs. |
1504219.cif |
| 39510 | 2012-03-07 | ../uploads/cif-deposit/cod/cif Adding structures of 1504219 via cif-deposit CGI script. |
1504219.cif |
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Users of the data should acknowledge the original authors of the
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