Crystallography Open Database

Information card for entry 4507842

Preview

Coordinates	4507842.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H24 N2 O5
Calculated formula	C16 H24 N2 O5
SMILES	[O-]C(=O)C(=O)O.O=C(Nc1c(cccc1C)C)C[NH+](CC)CC
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	10.5817 ± 0.0008 Å
b	10.3447 ± 0.0005 Å
c	15.3496 ± 0.0011 Å
α	90°
β	102.719 ± 0.007°
γ	90°
Cell volume	1639.01 ± 0.19 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1286
Residual factor for significantly intense reflections	0.0791
Weighted residual factors for significantly intense reflections	0.1366
Weighted residual factors for all reflections included in the refinement	0.1561
Goodness-of-fit parameter for all reflections included in the refinement	1.115
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

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.	4507842.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.	4507842.cif
87114	2013-07-14	cif/ Adding structures of 4507842 via cif-deposit CGI script.	4507842.cif