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Information card for entry 4507843
Preview
| Coordinates | 4507843.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider |
| Formula | C17 H26 N2 O5 |
|---|---|
| Calculated formula | C17 H23 N2 O5 |
| SMILES | N(c1c(cccc1C)C)C(=O)C[NH+](CC)CC.OC(=O)CC(=O)[O-] |
| Title of publication | Molecular Salts of Anesthetic Lidocaine with Dicarboxylic Acids: Solid-State Properties and a Combined Structural and Spectroscopic Study |
| Authors of publication | Braga, Dario; Chelazzi, Laura; Grepioni, Fabrizia; Dichiarante, Elena; Chierotti, Michele R.; Gobetto, Roberto |
| Journal of publication | Crystal Growth & Design |
| Year of publication | 2013 |
| Journal volume | 13 |
| Journal issue | 6 |
| Pages of publication | 2564 - 2572 |
| a | 10.486 Å |
| b | 12.302 Å |
| c | 15.444 Å |
| α | 74.81° |
| β | 87.5° |
| γ | 89.97° |
| Cell volume | 1920.7 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.1612 |
| Residual factor for significantly intense reflections | 0.0898 |
| Weighted residual factors for significantly intense reflections | 0.2745 |
| Weighted residual factors for all reflections included in the refinement | 0.362 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.063 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 211135 (current) | 2018-09-23 | cif/4/ Updating bibliography in entries 4507842-4507844, 4507885, 4510777. Marking entry 4510777 as a duplicate of entry 4507843. |
4507843.cif |
| 201982 | 2017-10-13 | cif/ Marking COD entries in range 4 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
4507843.cif |
| 179614 | 2016-03-24 | cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/78. |
4507843.cif |
| 101056 | 2014-02-10 | cif/4: Fixing formula and Z values for several CIFs |
4507843.cif |
| 87115 | 2013-07-14 | cif/ Adding structures of 4507843 via cif-deposit CGI script. |
4507843.cif |
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Users of the data should acknowledge the original authors of the
structural data.