Crystallography Open Database

Information card for entry 7215890

Preview

Coordinates	7215890.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	S-naproxen D-tyrosine
Chemical name	(+)-(S)-2-(6-methoxynaphthalen-2-yl)propanoic acid (R)-2-Amino-3-(4-hydroxyphenyl)propanoic acid
Formula	C23 H25 N O6
Calculated formula	C23 H25 N O6
Title of publication	Structural insight into cocrystallization with zwitterionic co-formers: cocrystals of S-naproxen
Authors of publication	Tumanova, Natalia; Tumanov, Nikolay; Robeyns, Koen; Filinchuk, Yaroslav; Wouters, Johan; Leyssens, Tom
Journal of publication	CrystEngComm
Year of publication	2014
Journal volume	16
Journal issue	35
Pages of publication	8185
a	9.4508 ± 0.0004 Å
b	5.9725 ± 0.0002 Å
c	18.9525 ± 0.0007 Å
α	90°
β	103.814 ± 0.002°
γ	90°
Cell volume	1038.83 ± 0.07 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 2 K
Number of distinct elements	4
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor R(I) for significantly intense reflections	8.9902
Goodness-of-fit parameter for all reflections	32.9759
Method of determination	powder diffraction
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.823065 Å
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
180489 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/58.	7215890.cif
123396	2014-09-08	cif/ Updating files of 7215887, 7215888, 7215889, 7215890 Original log message: Adding full bibliography for 7215887--7215890.cif.	7215890.cif
113771	2014-05-14	cif/ Adding structures of 7215887, 7215888, 7215889, 7215890 via cif-deposit CGI script.	7215890.cif