Crystallography Open Database

Information card for entry 4029391

Preview

Structure parameters

Formula	C34 H34 O6
Calculated formula	C34 H34 O6
SMILES	c1(ccc(cc1)OC)[C@@H]1[C@H]2c3cc(cc(c3[C@H]([C@@H]2c2ccc(cc2)OC)c2cc(cc(c12)OC)OC)OC)OC.c1(ccc(cc1)OC)[C@H]1[C@@H]2c3cc(cc(c3[C@@H]([C@H]2c2ccc(cc2)OC)c2cc(cc(c12)OC)OC)OC)OC
Title of publication	Biomimetic oxidative dimerization of anodically generated stilbene radical cations: effect of aromatic substitution on product distribution and reaction pathways.
Authors of publication	Hong, Fong-Jiao; Low, Yun-Yee; Chong, Kam-Weng; Thomas, Noel F.; Kam, Toh-Seok
Journal of publication	The Journal of organic chemistry
Year of publication	2014
Journal volume	79
Journal issue	10
Pages of publication	4528 - 4543
a	9.148 ± 0.004 Å
b	12.84 ± 0.006 Å
c	13.415 ± 0.006 Å
α	107.886 ± 0.008°
β	101.844 ± 0.007°
γ	92.212 ± 0.007°
Cell volume	1458.9 ± 1.1 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.2641
Residual factor for significantly intense reflections	0.1457
Weighted residual factors for significantly intense reflections	0.3817
Weighted residual factors for all reflections included in the refinement	0.4334
Goodness-of-fit parameter for all reflections included in the refinement	1.478
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4029391.html