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Information card for entry 1513921
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| Coordinates | 1513921.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | Boc-[Leu-(R)Gamma Val]5-OMe |
|---|---|
| Chemical name | t-Butyloxycarbonyl-[leucyl-R-Gamma-valyl]5-methyl ester |
| Formula | C73 H132 N10 O17 |
| Calculated formula | C73 H132 N10 O17 |
| SMILES | [C@@H](C(C)C)(NC(=O)[C@@H](NC(=O)CC[C@@H](NC(=O)[C@@H](NC(=O)CC[C@@H](NC(=O)[C@@H](NC(=O)CC[C@@H](NC(=O)[C@@H](NC(=O)CC[C@@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)CC(C)C)C(C)C)CC(C)C)C(C)C)CC(C)C)C(C)C)CC(C)C)C(C)C)CC(C)C)CCC(=O)OC.OC.O.OC.O |
| Title of publication | C12 Helices in Long Hybrid (αγ)n Peptides Composed Entirely of Unconstrained Residues with Proteinogenic Side Chains. |
| Authors of publication | Sonti, Rajesh; Dinesh, Bhimareddy; Basuroy, Krishnayan; Raghothama, Srinivasarao; Shamala, Narayanaswamy; Balaram, Padmanabhan |
| Journal of publication | Organic letters |
| Year of publication | 2014 |
| Journal volume | 16 |
| Journal issue | 6 |
| Pages of publication | 1656 - 1659 |
| a | 10.649 ± 0.008 Å |
| b | 19.364 ± 0.014 Å |
| c | 22.911 ± 0.016 Å |
| α | 90° |
| β | 100.61 ± 0.03° |
| γ | 90° |
| Cell volume | 4644 ± 6 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| 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 | 0.4246 |
| Residual factor for significantly intense reflections | 0.1178 |
| Weighted residual factors for significantly intense reflections | 0.2571 |
| Weighted residual factors for all reflections included in the refinement | 0.4086 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.876 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176729 (current) | 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. |
1513921.cif |
| 107885 | 2014-03-23 | cif/ Adding structures of 1513921 via cif-deposit CGI script. |
1513921.cif |
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Users of the data should acknowledge the original authors of the
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