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Information card for entry 4105327
Preview
| Coordinates | 4105327.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C51 H86 N6 O11 |
|---|---|
| Calculated formula | C51 H86 N6 O11 |
| SMILES | O(C(C)(C)C)C(=O)N[C@H](C)C(=O)N[C@@H]1CCCC[C@@H]1[C@@H](CC)C(=O)N[C@H](C)C(=O)N[C@@H]1CCCC[C@@H]1[C@@H](CC)C(=O)N[C@H](C)C(=O)N[C@@H]1CCCC[C@@H]1[C@@H](CC)C(=O)OCc1ccccc1.O.O |
| Title of publication | Stereospecific Synthesis of Conformationally Constrained γ-Amino Acids: New Foldamer Building Blocks That Support Helical Secondary Structure |
| Authors of publication | Li Guo; Yonggui Chi; Aaron M. Almeida; Ilia A. Guzei; Brian K. Parker; Samuel H. Gellman |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2009 |
| Journal volume | 131 |
| Pages of publication | 16018 - 16020 |
| a | 14.5595 ± 0.0015 Å |
| b | 12.4587 ± 0.0013 Å |
| c | 15.6241 ± 0.0017 Å |
| α | 90° |
| β | 97.105 ± 0.003° |
| γ | 90° |
| Cell volume | 2812.3 ± 0.5 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 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 | 0.0445 |
| Residual factor for significantly intense reflections | 0.0419 |
| Weighted residual factors for significantly intense reflections | 0.1049 |
| Weighted residual factors for all reflections included in the refinement | 0.107 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.025 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | Cu-Kα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176432 (current) | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries. |
4105327.cif |
| 120076 | 2014-07-11 | Adding DOIs to range 4/10 structures. | 4105327.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4105327.cif |
| 30522 | 2011-11-13 | ../uploads/cif-deposit/cod/cif Adding structures of 4105327 via cif-deposit CGI script. |
4105327.cif |
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Users of the data should acknowledge the original authors of the
structural data.