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Information card for entry 7151823
Preview
| Coordinates | 7151823.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider |
| Chemical name | Cbz-(Leu-Leu-Aib)2-OMe |
|---|---|
| Formula | C41 H68 N6 O9 |
| Calculated formula | C41 H68 N6 O9 |
| SMILES | c1(COC(=O)N[C@H](C(=O)N[C@H](C(=O)NC(C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)NC(C(=O)OC)(C)C)CC(C)C)(C)C)CC(C)C)CC(C)C)ccccc1 |
| Title of publication | Conformational studies on peptides containing α,α-disubstituted α-amino acids: chiral cyclic α,α-disubstituted α-amino acid as an α-helical inducer. |
| Authors of publication | Demizu, Yosuke; Doi, Mitsunobu; Kurihara, Masaaki; Okuda, Haruhiro; Nagano, Masanobu; Suemune, Hiroshi; Tanaka, Masakazu |
| Journal of publication | Organic & biomolecular chemistry |
| Year of publication | 2011 |
| Journal volume | 9 |
| Journal issue | 9 |
| Pages of publication | 3303 - 3312 |
| a | 10.4109 ± 0.0005 Å |
| b | 11.0028 ± 0.0004 Å |
| c | 11.3302 ± 0.0005 Å |
| α | 106.305 ± 0.002° |
| β | 94.754 ± 0.002° |
| γ | 103.828 ± 0.002° |
| Cell volume | 1193.8 ± 0.09 Å3 |
| Cell temperature | 302 K |
| Ambient diffraction temperature | 302 K |
| Number of distinct elements | 4 |
| Space group number | 1 |
| Hermann-Mauguin space group symbol | P 1 |
| Hall space group symbol | P 1 |
| Residual factor for all reflections | 0.0534 |
| Residual factor for significantly intense reflections | 0.0434 |
| Weighted residual factors for significantly intense reflections | 0.087 |
| Weighted residual factors for all reflections included in the refinement | 0.0905 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.576 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 202017 (current) | 2017-10-14 | cif/ Marking COD entries in range 7 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
7151823.cif |
| 180304 | 2016-03-26 | cif/7/15/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/15/18. |
7151823.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7151823.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7151823.cif |
| 21282 | 2011-06-22 | ../uploads/cif-deposit/cod/cif Adding structures of 7151823, 7151824, 7151825, 7151826 via cif-deposit CGI script. |
7151823.cif |
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