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Information card for entry 1507723
Preview
| Coordinates | 1507723.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider |
| Common name | Alpha-gamma mixed peptide |
|---|---|
| Chemical name | Boc-Aib-gPhe-Aib-gPhe-OEt |
| Formula | C76 H114 N8 O15 |
| Calculated formula | C76 H114 N8 O15 |
| SMILES | C(C)(C)(C)OC(=O)NC(C)(C)C(=O)N[C@@H](Cc1ccccc1)CCC(=O)NC(C)(C)C(=O)N[C@@H](Cc1ccccc1)CCC(=O)OCC.C(O)C.C(O)C |
| Title of publication | Hybrid Peptides: Direct Transformation of α/α, β-Unsaturated γ-Hybrid Peptides to α/γ-Hybrid Peptide 12-Helices. |
| Authors of publication | Bandyopadhyay, Anupam; Gopi, Hosahudya N. |
| Journal of publication | Organic letters |
| Year of publication | 2012 |
| Journal volume | 14 |
| Journal issue | 11 |
| Pages of publication | 2770 - 2773 |
| a | 19.123 ± 0.01 Å |
| b | 20.644 ± 0.011 Å |
| c | 20.129 ± 0.011 Å |
| α | 90° |
| β | 98.135 ± 0.011° |
| γ | 90° |
| Cell volume | 7866 ± 7 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Ambient diffracton pressure | 101.325 kPa |
| 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 | 0.1074 |
| Residual factor for significantly intense reflections | 0.063 |
| Weighted residual factors for significantly intense reflections | 0.1527 |
| Weighted residual factors for all reflections included in the refinement | 0.1793 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.999 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 201954 (current) | 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. |
1507723.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. |
1507723.cif |
| 171653 | 2015-12-20 | cod/ (antanas@echidna.ibt.lt) Removing surrounding qoutes ("'") from the _chemical_name_common tag values in multiple entries in ranges 1, 2, 4. |
1507723.cif |
| 91932 | 2013-12-28 | cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs. |
1507723.cif |
| 59814 | 2012-06-13 | cif/ Adding structures of 1507722, 1507723, 1507724, 1507725 via cif-deposit CGI script. |
1507723.cif |
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Users of the data should acknowledge the original authors of the
structural data.