Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7110646
Preview
Coordinates | 7110646.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | 1,3,5-N,N',N''-tris(2-methoxyethyl)trimesic amide |
---|---|
Formula | C18 H27 N3 O6 |
Calculated formula | C18 H27 N3 O6 |
Title of publication | New supramolecular packing motifs: π-stacked rods encased in triply-helical hydrogen bonded amide strands |
Authors of publication | Lightfoot, Matthew P.; Mair, Francis S.; Pritchard, Robin G.; Warren, John E. |
Journal of publication | Chemical Communications |
Year of publication | 1999 |
Journal issue | 19 |
Pages of publication | 1945 |
a | 10.776 ± 0.007 Å |
b | 7.241 ± 0.006 Å |
c | 13.028 ± 0.008 Å |
α | 90° |
β | 95.84 ± 0.05° |
γ | 90° |
Cell volume | 1011.3 ± 1.2 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 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 | 0.1138 |
Residual factor for significantly intense reflections | 0.0636 |
Weighted residual factors for significantly intense reflections | 0.1419 |
Weighted residual factors for all reflections included in the refinement | 0.1629 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.088 |
Diffraction radiation wavelength | 0.71069 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
180220 (current) | 2016-03-26 | cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/06. |
7110646.cif |
95608 | 2014-01-28 | cif/ Adding structures of 7110646 via cif-deposit CGI script. |
7110646.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.