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Information card for entry 2240903
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| Coordinates | 2240903.cif |
|---|---|
| Structure factors | 2240903.hkl |
| Original IUCr paper | HTML |
| Chemical name | Bis(cyclohexylammonium) succinate succinic acid |
|---|---|
| Formula | C20 H38 N2 O8 |
| Calculated formula | C20 H38 N2 O8 |
| SMILES | C(=O)(CCC(=O)O)O.C(=O)(CCC(=O)[O-])[O-].C1(CCCCC1)[NH3+].C1(CCCCC1)[NH3+] |
| Title of publication | Crystal structure of the bis(cyclohexylammonium) succinate succinic acid salt adduct |
| Authors of publication | Sarr, Modou; Diasse-Sarr, Aminata; Diop, Libasse; Plasseraud, Laurent; Cattey, Hélène |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 8 |
| Pages of publication | 899 - 901 |
| a | 9.5147 ± 0.0005 Å |
| b | 10.4479 ± 0.0006 Å |
| c | 11.4082 ± 0.0006 Å |
| α | 96.789 ± 0.002° |
| β | 93.287 ± 0.002° |
| γ | 90.945 ± 0.002° |
| Cell volume | 1123.96 ± 0.11 Å3 |
| Cell temperature | 115 K |
| Ambient diffraction temperature | 115 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0551 |
| Residual factor for significantly intense reflections | 0.0427 |
| Weighted residual factors for significantly intense reflections | 0.1076 |
| Weighted residual factors for all reflections included in the refinement | 0.1152 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.029 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα~1~ |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181909 (current) | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/09 |
2240903.cif 2240903.hkl |
| 140987 | 2015-07-08 | cif/ hkl/ Adding structures of 2240903 via cif-deposit CGI script. |
2240903.cif 2240903.hkl |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
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.
Users of the data should acknowledge the original authors of the
structural data.