Crystallography Open Database

Information card for entry 7233533

Preview

Coordinates	7233533.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	(+/-)-Synephrine Succinic Acid (1:0.5) Salt
Chemical name	(+/-)-Synephrine Succinic Acid (1:0.5) Salt
Formula	C11 H16 N O4
Calculated formula	C11 H16 N O4
Title of publication	Cation∙∙∙Cation Hydrogen Bonds in Synephrine Salts: A Typical Interaction in an Unusual Environment.
Authors of publication	Dash, Sibananda G.; Thakur, Tejender S.
Journal of publication	Physical Chemistry Chemical Physics
Year of publication	2019
a	5.8474 ± 0.001 Å
b	8.9093 ± 0.0015 Å
c	11.586 ± 0.002 Å
α	99.477 ± 0.007°
β	93.462 ± 0.007°
γ	107.504 ± 0.008°
Cell volume	563.89 ± 0.17 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	0.0975
Residual factor for significantly intense reflections	0.0604
Weighted residual factors for significantly intense reflections	0.1445
Weighted residual factors for all reflections included in the refinement	0.1628
Goodness-of-fit parameter for all reflections included in the refinement	1.044
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
217820 (current)	2019-08-29	cif/ Adding structures of 7233533, 7233534, 7233535, 7233536, 7233537, 7233538, 7233539, 7233540, 7233541, 7233542, 7233543 via cif-deposit CGI script.	7233533.cif