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Information card for entry 7203587
Preview
| Coordinates | 7203587.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | 2,3 lutidine succinic acid co-crystal |
|---|---|
| Formula | C18 H24 N2 O4 |
| Calculated formula | C18 H24 N2 O4 |
| SMILES | C(=O)(CCC(=O)O)O.c1(c(cccn1)C)C.c1(c(cccn1)C)C |
| Title of publication | Cocrystallisation of succinic and fumaric acids with lutidines: a systematic study |
| Authors of publication | Haynes, Delia A.; Jones, William; Motherwell, W. D. Samuel |
| Journal of publication | CrystEngComm |
| Year of publication | 2006 |
| Journal volume | 8 |
| Journal issue | 11 |
| Pages of publication | 830 |
| a | 10.0598 ± 0.0003 Å |
| b | 7.3023 ± 0.0003 Å |
| c | 12.2512 ± 0.0004 Å |
| α | 90° |
| β | 97.47 ± 0.002° |
| γ | 90° |
| Cell volume | 892.33 ± 0.05 Å3 |
| Cell temperature | 180 ± 2 K |
| Ambient diffraction temperature | 180 ± 2 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 | 0.0571 |
| Residual factor for significantly intense reflections | 0.0426 |
| Weighted residual factors for significantly intense reflections | 0.1073 |
| Weighted residual factors for all reflections included in the refinement | 0.1163 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.03 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180366 (current) | 2016-03-26 | cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/35. |
7203587.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7203587.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7203587.cif |
| 1504 | 2010-09-08 | cif/7/ Adding data extracted from RSC 2005 and 2006 year publications. |
7203587.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.