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Information card for entry 4507844
Preview
Coordinates | 4507844.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C18 H26 N2 O5 |
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Calculated formula | C18 H24 N2 O5 |
SMILES | O=C(/C=C/C(=O)[O-])O.N(C(=O)C[NH+](CC)CC)c1c(C)cccc1C |
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 | 10.442 ± 0.005 Å |
b | 10.962 ± 0.005 Å |
c | 16.273 ± 0.005 Å |
α | 90 ± 0.005° |
β | 90 ± 0.005° |
γ | 90 ± 0.005° |
Cell volume | 1862.7 ± 1.4 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 4 |
Space group number | 19 |
Hermann-Mauguin space group symbol | P 21 21 21 |
Hall space group symbol | P 2ac 2ab |
Residual factor for all reflections | 0.2186 |
Residual factor for significantly intense reflections | 0.087 |
Weighted residual factors for significantly intense reflections | 0.1423 |
Weighted residual factors for all reflections included in the refinement | 0.1901 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.033 |
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. |
4507844.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. |
4507844.cif |
87116 | 2013-07-14 | cif/ Adding structures of 4507844 via cif-deposit CGI script. |
4507844.cif |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.