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Information card for entry 4511523
Preview
| Coordinates | 4511523.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C23 H23 Cl N O2.5 |
|---|---|
| Calculated formula | C23 H23 Cl N O2.5 |
| Title of publication | Cation-Induced Supramolecular Isomerism in the Hydrogen-Bonded Network of Secondary Ammonium Monocarboxylate Salts: A New Class of Organo Gelator and Their Structures |
| Authors of publication | Trivedi, Darshak R.; Dastidar, Parthasarathi |
| Journal of publication | Crystal Growth & Design |
| Year of publication | 2006 |
| Journal volume | 6 |
| Journal issue | 9 |
| Pages of publication | 2114 |
| a | 8.552 ± 0.003 Å |
| b | 10.137 ± 0.003 Å |
| c | 12.372 ± 0.004 Å |
| α | 85.68 ± 0.005° |
| β | 78.101 ± 0.005° |
| γ | 87.955 ± 0.005° |
| Cell volume | 1046.3 ± 0.6 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 1 |
| Hermann-Mauguin space group symbol | P 1 |
| Hall space group symbol | P 1 |
| Residual factor for all reflections | 0.0434 |
| Residual factor for significantly intense reflections | 0.0428 |
| Weighted residual factors for significantly intense reflections | 0.1229 |
| Weighted residual factors for all reflections included in the refinement | 0.1236 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.067 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176467 (current) | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4. |
4511523.cif |
| 118641 | 2014-06-30 | cif/ Adding structures of 4511523 via cif-deposit CGI script. |
4511523.cif |
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Users of the data should acknowledge the original authors of the
structural data.