Crystallography Open Database

Information card for entry 2241585

Preview

Coordinates	2241585.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	2-[(<i>E</i>)-2-Phenylethenyl]phenol
Formula	C14 H12 O
Calculated formula	C14 H12 O
Title of publication	Investigations of new potential photo-acid generators: crystal structures of 2-[(<i>E</i>)-2-phenylethenyl]phenol (orthorhombic polymorph) and (2<i>E</i>)-3-(2-bromophenyl)-2-phenylprop-2-enoic acid
Authors of publication	Harrison, William T. A.; Plater, M. John; Yin, Lee J.
Journal of publication	Acta Crystallographica Section E
Year of publication	2016
Journal volume	72
Journal issue	3
Pages of publication	407 - 411
a	11.6193 ± 0.0008 Å
b	7.68 ± 0.0005 Å
c	11.3584 ± 0.0008 Å
α	90°
β	90°
γ	90°
Cell volume	1013.58 ± 0.12 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	3
Space group number	29
Hermann-Mauguin space group symbol	P c a 21
Hall space group symbol	P 2c -2ac
Residual factor for all reflections	0.0362
Residual factor for significantly intense reflections	0.0341
Weighted residual factors for significantly intense reflections	0.0901
Weighted residual factors for all reflections included in the refinement	0.0913
Goodness-of-fit parameter for all reflections included in the refinement	1.058
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
176881 (current)	2016-02-25	cif/ Adding structures of 2241585, 2241586 via cif-deposit CGI script.	2241585.cif