Crystallography Open Database

Information card for entry 1503223

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Structure parameters

Formula	C38 H34 O4
Calculated formula	C38 H34 O4
SMILES	COc1ccc(cc1)C(=Cc1ccc(cc1)C=C(c1ccc(cc1)OC)c1ccc(cc1)OC)c1ccc(cc1)OC
Title of publication	Synthesis of 1,4-bis[2,2-bis(4-alkoxyphenyl)vinyl]benzenes and side chain modulation of their solid-state emission.
Authors of publication	An, Peng; Shi, Zi-Fa; Dou, Wei; Cao, Xiao-Ping; Zhang, Hao-Li
Journal of publication	Organic letters
Year of publication	2010
Journal volume	12
Journal issue	19
Pages of publication	4364 - 4367
a	7.272 ± 0.003 Å
b	12.692 ± 0.005 Å
c	17.264 ± 0.007 Å
α	97.762 ± 0.011°
β	100.795 ± 0.009°
γ	101.825 ± 0.009°
Cell volume	1506.9 ± 1.1 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	0.2725
Residual factor for significantly intense reflections	0.0765
Weighted residual factors for significantly intense reflections	0.1652
Weighted residual factors for all reflections included in the refinement	0.2645
Goodness-of-fit parameter for all reflections included in the refinement	0.849
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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