Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1544420
Preview
| Coordinates | 1544420.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | 0334-84-03 |
|---|---|
| Chemical name | zuckermann29 |
| Formula | C22 H26 N2 O2 |
| Calculated formula | C22 H26 N2 O2 |
| SMILES | O=C1N(CC(=O)N(C1)CCc1ccc(cc1)C)CCc1ccc(cc1)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 | 9.6897 ± 0.0011 Å |
| b | 5.9729 ± 0.0007 Å |
| c | 16.0765 ± 0.0017 Å |
| α | 90° |
| β | 90.997 ± 0.005° |
| γ | 90° |
| Cell volume | 930.3 ± 0.18 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/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0822 |
| Residual factor for significantly intense reflections | 0.052 |
| Weighted residual factors for significantly intense reflections | 0.1202 |
| Weighted residual factors for all reflections included in the refinement | 0.138 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.06 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| 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. |
1544420.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. |
1544420.cif |
| 187697 | 2016-10-30 | cif/ Adding structures of 1544420 via cif-deposit CGI script. |
1544420.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.