Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1506847
Preview
| Coordinates | 1506847.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Chemical name | 12-[(N-beta-D-glucopyranosyl)carbamoyl]dodecanoic acid |
|---|---|
| Formula | C20 H36 N Na O8 |
| Calculated formula | C20 H36 N Na O8 |
| SMILES | [Na+].C(CCCCC(=O)N[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)CO)CCCCCCCC(=O)[O-] |
| Title of publication | Lipid Nanotubes and Microtubes: Experimental Evidence for Unsymmetrical Monolayer Membrane Formation from Unsymmetrical Bolaamphiphiles |
| Authors of publication | Masuda, Mitsutoshi; Shimizu, Toshimi |
| Journal of publication | Langmuir |
| Year of publication | 2004 |
| Journal volume | 20 |
| Journal issue | 14 |
| Pages of publication | 5969 |
| a | 8.6816 ± 0.0009 Å |
| b | 4.8578 ± 0.0005 Å |
| c | 26.25 ± 0.003 Å |
| α | 90° |
| β | 91.46 ± 0.002° |
| γ | 90° |
| Cell volume | 1106.7 ± 0.2 Å3 |
| Cell temperature | 90 ± 2 K |
| Ambient diffraction temperature | 90 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0843 |
| Residual factor for significantly intense reflections | 0.0771 |
| Weighted residual factors for significantly intense reflections | 0.1806 |
| Weighted residual factors for all reflections included in the refinement | 0.1843 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.131 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301775 (current) | 2025-08-18 | Add cross-references to PubChem compounds in COD range 1/50 Each referenced PubChem compound corresponds to the full crystal structure. |
1506847.cif |
| 176729 | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1. |
1506847.cif |
| 120071 | 2014-07-11 | Adding DOIs to range 1 structures. | 1506847.cif |
| 51487 | 2012-04-07 | ../uploads/cif-deposit/cod/cif Adding structures of 1506847 via cif-deposit CGI script. |
1506847.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.