Crystallography Open Database

Information card for entry 7216528

Preview

Coordinates	7216528.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H18 N O3
Calculated formula	C19 H18 N O3
Title of publication	Crystal engineering of homochiral molecular organization of naproxen in cocrystals and their thermal phase transformation studies
Authors of publication	Manoj, K.; Tamura, Rui; Takahashi, Hiroki; Tsue, Hirohito
Journal of publication	CrystEngComm
Year of publication	2014
Journal volume	16
Journal issue	26
Pages of publication	5811
a	7.624 ± 0.006 Å
b	5.8 ± 0.004 Å
c	36.02 ± 0.03 Å
α	90°
β	90.017 ± 0.008°
γ	90°
Cell volume	1593 ± 2 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 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	0.127
Residual factor for significantly intense reflections	0.0965
Weighted residual factors for significantly intense reflections	0.1846
Weighted residual factors for all reflections included in the refinement	0.198
Goodness-of-fit parameter for all reflections included in the refinement	1.189
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
180496 (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 7/21/65.	7216528.cif
119403	2014-07-07	cif/ Updating files of 7216528, 7216529, 7216530, 7216531 Original log message: Adding full bibliography for 7216528--7216531.cif.	7216528.cif
116421	2014-06-11	cif/ Adding structures of 7216528, 7216529, 7216530, 7216531 via cif-deposit CGI script.	7216528.cif