Crystallography Open Database

Information card for entry 7217235

Preview

Coordinates	7217235.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H19 N O
Calculated formula	C22 H19 N O
Title of publication	A new intermediate in spontaneous styrene polymerisation inhibited by 2-nitrophenol
Authors of publication	Thatcher, Robert; Newby, Thomas; Price, Peter; Loyns, Colin; Chechik, Victor
Journal of publication	RSC Advances
Year of publication	2014
a	12.3365 ± 0.0002 Å
b	16.4543 ± 0.0003 Å
c	8.1193 ± 0.00017 Å
α	90°
β	97.8902 ± 0.0019°
γ	90°
Cell volume	1632.52 ± 0.05 Å³
Cell temperature	111 ± 2 K
Ambient diffraction temperature	111 ± 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	0.0668
Residual factor for significantly intense reflections	0.0526
Weighted residual factors for significantly intense reflections	0.1278
Weighted residual factors for all reflections included in the refinement	0.1351
Goodness-of-fit parameter for all reflections included in the refinement	1.14
Diffraction radiation wavelength	0.71071 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
180503 (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 7/21/72.	7217235.cif
120936	2014-07-30	cif/ Adding structures of 7217235, 7217236 via cif-deposit CGI script.	7217235.cif