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Information card for entry 1507701
Preview
| Coordinates | 1507701.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider |
| Formula | C45 H70 N6 O9 |
|---|---|
| Calculated formula | C45 H70 N6 O9 |
| SMILES | O(C(C)(C)C)C(=O)N[C@@H](C)C(=O)NC[C@@H]1CCCC[C@@H]1C(=O)N[C@@H](C)C(=O)NC[C@@H]1CCCC[C@@H]1C(=O)N[C@@H](C)C(=O)NC[C@@H]1CCCC[C@@H]1C(=O)OCc1ccccc1 |
| Title of publication | New preorganized γ-amino acids as foldamer building blocks. |
| Authors of publication | Guo, Li; Zhang, Weicheng; Guzei, Ilia A.; Spencer, Lara C.; Gellman, Samuel H. |
| Journal of publication | Organic letters |
| Year of publication | 2012 |
| Journal volume | 14 |
| Journal issue | 10 |
| Pages of publication | 2582 - 2585 |
| a | 15.1846 ± 0.0003 Å |
| b | 15.1846 ± 0.0003 Å |
| c | 46.045 ± 0.0011 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 10616.7 ± 0.4 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 92 |
| Hermann-Mauguin space group symbol | P 41 21 2 |
| Hall space group symbol | P 4abw 2nw |
| Residual factor for all reflections | 0.0832 |
| Residual factor for significantly intense reflections | 0.0792 |
| Weighted residual factors for significantly intense reflections | 0.2197 |
| Weighted residual factors for all reflections included in the refinement | 0.2246 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.998 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 201954 (current) | 2017-10-13 | cif/ Marking COD entries in range 1 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
1507701.cif |
| 176432 | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries. |
1507701.cif |
| 113495 | 2014-05-13 | cif/ Updating files of 1507700, 1507701 Original log message: Adding full bibliography for 1507700--1507701.cif. |
1507701.cif |
| 91932 | 2013-12-28 | cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs. |
1507701.cif |
| 59798 | 2012-06-13 | cif/ Adding structures of 1507701 via cif-deposit CGI script. |
1507701.cif |
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Users of the data should acknowledge the original authors of the
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