Crystallography Open Database

Information card for entry 7233534

Preview

Coordinates	7233534.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	(+/-)-Synephrine Fumaric Acid (1:0.5) Salt
Chemical name	(+/-)-Synephrine Fumaric Acid (1:0.5) Salt
Formula	C11 H15 N O4
Calculated formula	C11 H15 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	13.045 ± 0.002 Å
b	5.6577 ± 0.0008 Å
c	16.169 ± 0.003 Å
α	90°
β	107.412 ± 0.017°
γ	90°
Cell volume	1138.7 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.156
Residual factor for significantly intense reflections	0.0874
Weighted residual factors for significantly intense reflections	0.1534
Weighted residual factors for all reflections included in the refinement	0.1897
Goodness-of-fit parameter for all reflections included in the refinement	1.073
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
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.	7233534.cif