Crystallography Open Database

Information card for entry 7201692

7201691 << 7201692 >> 7201693

Preview

Coordinates	7201692.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H15 N O3
Calculated formula	C16 H15 N O3
Title of publication	Polymorphism in 3-methyl-4-methoxy-4′-nitrostilbene (MMONS), a highly active NLO material
Authors of publication	Munshi, Parthapratim; Skelton, Brian W.; McKinnon, Joshua J.; Spackman, Mark A.
Journal of publication	CrystEngComm
Year of publication	2008
Journal volume	10
Journal issue	2
Pages of publication	197
a	11.889 ± 0.0002 Å
b	7.4118 ± 0.0001 Å
c	15.6083 ± 0.0002 Å
α	90°
β	103.661 ± 0.002°
γ	90°
Cell volume	1336.48 ± 0.04 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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 for all reflections	0.0531
Residual factor for significantly intense reflections	0.043
Weighted residual factors for significantly intense reflections	0.1193
Weighted residual factors for all reflections included in the refinement	0.1309
Goodness-of-fit parameter for all reflections included in the refinement	1.085
Diffraction radiation probe	x-ray
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
180347 (current)	2016-03-26	cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/16.	7201692.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7201692.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7201692.cif
1173	2010-05-16	cif/7/: adding data from Dalton-Trans-2008, New-J-Chem-2008, Org-Biomol-Chem-2008 and RSC-2008 processing.	7201692.cif