Crystallography Open Database

Information card for entry 2020549

2020548 << 2020549 >> 2020550

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Coordinates	2020549.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	1-(2-hydroxyphenyl)-2-(2-hydroxyethyl)-6,7-dimethoxy-1,2,3,4- tetrahydroisoquinoline
Formula	C19 H23 N O4
Calculated formula	C19 H23 N O4
Title of publication	Synthesis of 2-(2-hydroxyethyl)-1-(2-hydroxyphenyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline and pseudosymmetry in its crystal structure
Authors of publication	Turgunov, Kambarali K.; Zhurakulov, Sherzod N.; Englert, Ulli; Vinogradova, Valentina I.; Tashkhodjaev, Bakhodir
Journal of publication	Acta Crystallographica Section C
Year of publication	2016
Journal volume	72
Journal issue	8
a	7.432 ± 0.0015 Å
b	9.962 ± 0.002 Å
c	11.373 ± 0.002 Å
α	85.63 ± 0.03°
β	85.34 ± 0.03°
γ	81.32 ± 0.03°
Cell volume	827.9 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.0865
Residual factor for significantly intense reflections	0.0573
Weighted residual factors for significantly intense reflections	0.1385
Weighted residual factors for all reflections included in the refinement	0.1568
Goodness-of-fit parameter for all reflections included in the refinement	1.029
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
184372 (current)	2016-07-12	cif/ hkl/ Adding structures of 2020549 via cif-deposit CGI script.	2020549.cif