Crystallography Open Database

Information card for entry 4033593

Preview

Coordinates	4033593.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H24 O3
Calculated formula	C32 H24 O3
SMILES	c12c(cc(cc2)OC)c(c(c2c1Cc1c2cccc1)c1c(C=O)cccc1)c1ccc(OC)cc1
Title of publication	Reactions of Anodically Generated Methoxystilbene Cation Radicals: The Influence of Ortho-Substituted Vinyl and Formyl Groups.
Authors of publication	Chong, Kam-Weng; Thomas, Noel F.; Low, Yun-Yee; Kam, Toh-Seok
Journal of publication	The Journal of organic chemistry
Year of publication	2019
Journal volume	84
Journal issue	11
Pages of publication	7279 - 7290
a	10.8576 ± 0.0003 Å
b	13.0152 ± 0.0004 Å
c	17.4505 ± 0.0005 Å
α	104.015 ± 0.002°
β	97.067 ± 0.002°
γ	96.925 ± 0.002°
Cell volume	2345.28 ± 0.12 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	3
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.2121
Residual factor for significantly intense reflections	0.1297
Weighted residual factors for significantly intense reflections	0.3583
Weighted residual factors for all reflections included in the refinement	0.4175
Goodness-of-fit parameter for all reflections included in the refinement	1.287
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
223238 (current)	2019-11-04	cif/ Updating files of 4033593 Original log message: Adding full bibliography for 4033593.cif.	4033593.cif
215147	2019-05-15	cif/ Adding structures of 4033593 via cif-deposit CGI script.	4033593.cif