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Information card for entry 7054688
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| Coordinates | 7054688.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | Boc-[Leu-R-Gamma-Leu]2-OMe |
|---|---|
| Chemical name | t-Butyloxycarbonyl-[Leucyl-R-gamma-Leucyl]2-methyl ester |
| Formula | C34 H64 N4 O9 |
| Calculated formula | C34 H64 N4 O9 |
| SMILES | O(C(=O)N[C@H](C(=O)N[C@H](CCC(=O)N[C@H](C(=O)N[C@@H](CC(C)C)CCC(=O)OC)CC(C)C)CC(C)C)CC(C)C)C(C)(C)C.O.O |
| Title of publication | Structural characterization of folded and extended conformations in peptides containing γ amino acids with proteinogenic side chains: crystal structures of γn, (αγ)nand γγδγ sequences |
| Authors of publication | M. B. Reddy, Madhusudana; Basuroy, K.; Chandrappa, S.; Dinesh, B.; Vasantha, B.; A. Venkatesha, Manjunath; Balaram, P. |
| Journal of publication | New J. Chem. |
| Year of publication | 2015 |
| Journal volume | 39 |
| Journal issue | 5 |
| Pages of publication | 3319 |
| a | 10.6075 ± 0.0003 Å |
| b | 10.735 ± 0.0003 Å |
| c | 19.1418 ± 0.0006 Å |
| α | 90° |
| β | 105.348 ± 0.002° |
| γ | 90° |
| Cell volume | 2101.97 ± 0.11 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 | 0.0893 |
| Residual factor for significantly intense reflections | 0.06 |
| Weighted residual factors for significantly intense reflections | 0.1604 |
| Weighted residual factors for all reflections included in the refinement | 0.1812 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.095 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180100 (current) | 2016-03-26 | cif/7/05/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/05/46. |
7054688.cif |
| 138809 | 2015-06-07 | cif/ Updating files of 7054687, 7054688, 7054689, 7054690, 7054691, 7054692, 7054693, 7054694, 7054695 Original log message: Adding full bibliography for 7054687--7054695.cif. |
7054688.cif |
| 132062 | 2015-02-19 | cif/ Adding structures of 7054687, 7054688, 7054689, 7054690, 7054691, 7054692, 7054693, 7054694, 7054695 via cif-deposit CGI script. |
7054688.cif |
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Users of the data should acknowledge the original authors of the
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