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Information card for entry 1544416
Preview
| Coordinates | 1544416.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | 0334-107-3 |
|---|---|
| Chemical name | zuckermann31 |
| Formula | C22 H26 N2 O2 |
| Calculated formula | C22 H26 N2 O2 |
| SMILES | C1(=O)CN(C(=O)CN1CCc1cccc(c1)C)CCc1cccc(c1)C |
| Title of publication | Molecular Engineering of the Peptoid Nanosheet Hydrophobic Core. |
| Authors of publication | Robertson, Ellen J.; Proulx, Caroline; Su, Jessica K.; Garcia, Rita L.; Yoo, Stan; Nehls, Eric M.; Connolly, Michael D.; Taravati, Laudann; Zuckermann, Ronald N. |
| Journal of publication | Langmuir : the ACS journal of surfaces and colloids |
| Year of publication | 2016 |
| Journal volume | 32 |
| Journal issue | 45 |
| Pages of publication | 11946 |
| a | 6.2924 ± 0.0003 Å |
| b | 7.7144 ± 0.0004 Å |
| c | 38.6461 ± 0.0019 Å |
| α | 90° |
| β | 93.863 ± 0.003° |
| γ | 90° |
| Cell volume | 1871.7 ± 0.16 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.1726 |
| Residual factor for significantly intense reflections | 0.1624 |
| Weighted residual factors for significantly intense reflections | 0.3973 |
| Weighted residual factors for all reflections included in the refinement | 0.402 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.142 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 204147 (current) | 2017-12-11 | cif/ Correcting the '_space_group.centring_type' data item enumeration values with the help of the cif_fix_values script from the cod-tools package revision 5887. |
1544416.cif |
| 188910 | 2016-12-05 | cif/ Updating files of 1544416, 1544417, 1544418, 1544419, 1544420, 1544421, 1544422 Original log message: Adding full bibliography for 1544416--1544422.cif. |
1544416.cif |
| 187693 | 2016-10-30 | cif/ Adding structures of 1544416 via cif-deposit CGI script. |
1544416.cif |
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Users of the data should acknowledge the original authors of the
structural data.