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Information card for entry 4110299
Preview
| Coordinates | 4110299.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | Ac-[L-(αMe)Val]7-NHiPr 1,1,1,3,3,3-hexafluoropropan-2-ol bis-solvate |
|---|---|
| Formula | C106 H184 F24 N16 O20 |
| Calculated formula | C106 H184 F24 N16 O20 |
| Title of publication | Peptide α/310-Helix Dimorphism in the Crystal State |
| Authors of publication | Marco Crisma; Michele Saviano; Alessandro Moretto; Quirinus B. Broxterman; Bernard Kaptein; Claudio Toniolo |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2007 |
| Journal volume | 129 |
| Pages of publication | 15471 - 15473 |
| a | 30.677 ± 0.004 Å |
| b | 11.02 ± 0.002 Å |
| c | 38.639 ± 0.005 Å |
| α | 90° |
| β | 94.53 ± 0.08° |
| γ | 90° |
| Cell volume | 13022 ± 4 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 5 |
| Hermann-Mauguin space group symbol | C 1 2 1 |
| Hall space group symbol | C 2y |
| Residual factor for all reflections | 0.174 |
| Residual factor for significantly intense reflections | 0.0878 |
| Weighted residual factors for significantly intense reflections | 0.2153 |
| Weighted residual factors for all reflections included in the refinement | 0.2639 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.927 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178873 (current) | 2016-03-22 | cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/02. |
4110299.cif |
| 120077 | 2014-07-12 | Adding DOIs to range 4/11 structures. | 4110299.cif |
| 59221 | 2012-06-05 | cif/4/ Setting up the svn:keywords property on the recently moved CIFs, so that the file checked out under English locales do not contain high-bit-set characters. |
4110299.cif |
| 59116 | 2012-06-03 | smi/7 Adding SMILES for metal carbonyls. cif/4 Moving files wrongly appearing as 4/4xxyyzz.cif as 4/xx/yy/4xxyyzz.cif |
4110299.cif |
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Users of the data should acknowledge the original authors of the
structural data.