Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7063177
Preview
Coordinates | 7063177.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C18 H40 N2 O10 |
---|---|
Calculated formula | C18 H40 N2 O10 |
Title of publication | Solvent and Stoichiometry-dependent Versatile Organogelation and Robust Crystallization from Supramolecular Association of Adipic Acid and Triethanolamine |
Authors of publication | Lepcha, Gerald; Pal, Indrajit; Majumdar, Santanu; Dhasmana, Yogesh; Mondal, Sanjay; Zangrando, Ennio; Chopra, Deepak; Dey, Biswajit |
Journal of publication | New Journal of Chemistry |
Year of publication | 2024 |
a | 5.3882 ± 0.0002 Å |
b | 14.1701 ± 0.0004 Å |
c | 14.4214 ± 0.0004 Å |
α | 90° |
β | 95.402 ± 0.001° |
γ | 90° |
Cell volume | 1096.2 ± 0.06 Å3 |
Cell temperature | 100 K |
Ambient diffraction temperature | 100 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 | 0.0389 |
Residual factor for significantly intense reflections | 0.0338 |
Weighted residual factors for significantly intense reflections | 0.0764 |
Weighted residual factors for all reflections included in the refinement | 0.0787 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.02 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
291282 (current) | 2024-04-19 | cif/ Adding structures of 7063176, 7063177 via cif-deposit CGI script. |
7063177.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.