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Information card for entry 1503030
Preview
| Coordinates | 1503030.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C41 H55 N4 O11.5 |
|---|---|
| Calculated formula | C41 H50 N4 O9 |
| SMILES | COC(=O)[C@H]1[C@H](C)OC(C)(C)N1C(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H]1[C@H](C)OC(C)(C)N1C(=O)[C@@H](Cc1ccccc1)NC(=O)OCc1ccccc1 |
| Title of publication | Synthesis of all-L cyclic tetrapeptides using pseudoprolines as removable turn inducers. |
| Authors of publication | Fairweather, Kelly A.; Sayyadi, Nima; Luck, Ian J.; Clegg, Jack K.; Jolliffe, Katrina A. |
| Journal of publication | Organic letters |
| Year of publication | 2010 |
| Journal volume | 12 |
| Journal issue | 14 |
| Pages of publication | 3136 - 3139 |
| a | 13.4028 ± 0.0002 Å |
| b | 13.4028 ± 0.0002 Å |
| c | 41.9587 ± 0.0014 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 6527.5 ± 0.3 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 152 |
| Hermann-Mauguin space group symbol | P 31 2 1 |
| Hall space group symbol | P 31 2" |
| Residual factor for all reflections | 0.0641 |
| Residual factor for significantly intense reflections | 0.0536 |
| Weighted residual factors for significantly intense reflections | 0.1462 |
| Weighted residual factors for all reflections included in the refinement | 0.1523 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.084 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 192777 (current) | 2017-03-02 | cod/ Correcting misspelt data item names by using the 'cod_correct_tags' script and the replacement file 'data/replacement-values/replacement_tags.lst' from the 'cod-tools' repository (rev. 5000). The correction was mainly focused on removing misspelt versions of the '_symmetry_Int_Tables' and '_space_group_IT_number' data items. |
1503030.cif |
| 176432 | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries. |
1503030.cif |
| 91932 | 2013-12-28 | cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs. |
1503030.cif |
| 36958 | 2012-03-01 | ../uploads/cif-deposit/cod/cif Adding structures of 1503030 via cif-deposit CGI script. |
1503030.cif |
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Users of the data should acknowledge the original authors of the
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