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Information card for entry 4510777
Preview
Coordinates | 4510777.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C17 H26 N2 O5 |
---|---|
Calculated formula | C17 H23 N2 O5 |
SMILES | N(c1c(cccc1C)C)C(=O)C[NH+](CC)CC.C(=O)([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 |
Duplicate of | 4507843 |
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. |
4510777.cif |
179654 | 2016-03-24 | cif/4/51/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/51/07. |
4510777.cif |
169888 | 2015-10-30 | cif/4 Fixing Z values and formulae |
4510777.cif |
113159 | 2014-05-08 | cif/ Adding structures of 4510777 via cif-deposit CGI script. |
4510777.cif |
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Users of the data should acknowledge the original authors of the
structural data.