Crystallography Open Database

Information card for entry 7235104

Preview

Coordinates	7235104.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	RS-naproxen L-proline 1:1 cocrystal, polymorph III
Chemical name	(2R)-2-(6-methoxynaphthalen-2-yl)propanoic acid (2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid bis((2S)-pyrrolidin-1-ium-2-carboxylate), polymorph III
Formula	C38 H46 N2 O10
Calculated formula	C38 H46 N2 O10
Title of publication	Exploring polymorphism and stoichiometric diversity in naproxen/proline cocrystals
Authors of publication	Tumanova, Natalia; Tumanov, Nikolay; Fischer, Franziska; Morelle, Fabrice; Ban, Voraksmy; Robeyns, Koen; Filinchuk, Yaroslav; Wouters, Johan; Emmerling, Franziska; Leyssens, Tom
Journal of publication	CrystEngComm
Year of publication	2018
Journal volume	20
Journal issue	45
Pages of publication	7308
a	12.705 ± 0.002 Å
b	5.7631 ± 0.0008 Å
c	25 ± 0.005 Å
α	90°
β	95.041 ± 0.011°
γ	90°
Cell volume	1823.4 ± 0.5 Å³
Cell temperature	402 K
Ambient diffraction temperature	402 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	7.117
Goodness-of-fit parameter for all reflections	62.48
Method of determination	powder diffraction
Diffraction radiation wavelength	0.78487 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
227795 (current)	2019-11-14	cif/ Adding structures of 7235091, 7235092, 7235093, 7235094, 7235095, 7235096, 7235097, 7235098, 7235099, 7235100, 7235101, 7235102, 7235103, 7235104 via cif-deposit CGI script.	7235104.cif