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Information card for entry 7200390
Preview
| Coordinates | 7200390.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | 3,4 lutidine pamoate |
|---|---|
| Formula | C37 H34 N2 O6 |
| Calculated formula | C37 H34 N2 O6 |
| SMILES | [nH+]1cc(c(cc1)C)C.[nH+]1cc(c(cc1)C)C.Oc1c(cc2ccccc2c1Cc1c(O)c(cc2ccccc12)C(=O)[O-])C(=O)[O-] |
| Title of publication | The crystal structures of three novel lutidinium pamoate salts |
| Authors of publication | Haynes, Delia A.; Weng, Ze F.; Jones, William; Motherwell, W. D. Samuel |
| Journal of publication | CrystEngComm |
| Year of publication | 2009 |
| Journal volume | 11 |
| Journal issue | 2 |
| Pages of publication | 254 - 260 |
| a | 11.196 ± 0.002 Å |
| b | 12.653 ± 0.003 Å |
| c | 22.963 ± 0.005 Å |
| α | 104.32 ± 0.03° |
| β | 103.24 ± 0.03° |
| γ | 91.58 ± 0.03° |
| Cell volume | 3055.9 ± 1.3 Å3 |
| Cell temperature | 180 ± 2 K |
| Ambient diffraction temperature | 180 ± 2 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 | 0.085 |
| Residual factor for significantly intense reflections | 0.057 |
| Weighted residual factors for significantly intense reflections | 0.1355 |
| Weighted residual factors for all reflections included in the refinement | 0.1537 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.162 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301863 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/20/ Each referenced PubChem compound corresponds to the full crystal structure. |
7200390.cif |
| 218453 | 2019-09-18 | cif/7/20/03/ Replaced the incorrect bibliographical reference to the original publication with a proper one in entries 7200388-7200390. |
7200390.cif |
| 180334 | 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 7/20/03. |
7200390.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7200390.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7200390.cif |
| 1167 | 2010-05-13 | cif/ Adding data from the rest of 2009 RSC journals, Inorg-Chem-2008 and Chem-Comm-2010_18-19. |
7200390.cif |
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