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Information card for entry 7107342
Preview
| Coordinates | 7107342.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C18 H30 N2 O5 |
|---|---|
| Calculated formula | C18 H30 N2 O5 |
| SMILES | CC(C)(C)OC(=O)N[C@@H]1[C@@H](CC(=O)OC(C)(C)C)N(C(=O)C1)CC=C |
| Title of publication | Constrained a/V-peptides: a new stable extended structure in solution without any hydrogen bond and characterized by a four-fold symmetry |
| Authors of publication | Francelin Bouillere; Debby Feytens; Didier Gori; Regis Guillot; Cyrille Kouklovsky; Emeric Miclet; Valerie Alezra |
| Journal of publication | Chem.Commun. |
| Year of publication | 2012 |
| Journal volume | 48 |
| Pages of publication | 1982 |
| a | 5.7347 ± 0.0003 Å |
| b | 17.0484 ± 0.0009 Å |
| c | 10.2113 ± 0.0006 Å |
| α | 90° |
| β | 96.045 ± 0.001° |
| γ | 90° |
| Cell volume | 992.78 ± 0.09 Å3 |
| Cell temperature | 100 ± 1 K |
| Ambient diffraction temperature | 100 ± 1 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 | 0.0525 |
| Residual factor for significantly intense reflections | 0.0414 |
| Weighted residual factors for significantly intense reflections | 0.1001 |
| Weighted residual factors for all reflections included in the refinement | 0.1053 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.014 |
| 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 |
|---|---|---|---|
| 180177 (current) | 2016-03-26 | cif/7/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/10/73. |
7107342.cif |
| 106664 | 2014-03-15 | cif/ (saulius@koala.ibt.lt) Adding DOIs to the rest of the Chem. Comm. files. Some of these files have author names differing from PubMed in diacritics (either diacritics are omitted or we have encoding problems); or they have a year difference of 1. However, since first pages always match and author names are variants of each other, I assume that DOIs are assigned correctly. |
7107342.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7107342.cif |
| 32084 | 2012-01-31 | ../uploads/cif-deposit/cod/cif Adding structures of 7107342 via cif-deposit CGI script. |
7107342.cif |
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Users of the data should acknowledge the original authors of the
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