Crystallography Open Database

Information card for entry 7223105

Preview

Coordinates	7223105.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H20 I2
Calculated formula	C30 H20 I2
SMILES	Ic1ccc(/C=C/c2c3c(c(/C=C/c4ccc(I)cc4)c4c2cccc4)cccc3)cc1
Title of publication	Influence of halogen atoms on the structures and photophysical properties of 9,10-distyrylanthracene (DSA)
Authors of publication	Wu, Dong-En; Wang, Man-Ning; Luo, Yang-Hui; Wen, Gao-Ju; Sun, Bai-Wang
Journal of publication	CrystEngComm
Year of publication	2015
Journal volume	17
Journal issue	47
Pages of publication	9228
a	4.65 ± 0.0009 Å
b	28.225 ± 0.006 Å
c	9.326 ± 0.0019 Å
α	90°
β	104.36 ± 0.03°
γ	90°
Cell volume	1185.8 ± 0.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	3
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	0.2034
Residual factor for significantly intense reflections	0.0785
Weighted residual factors for significantly intense reflections	0.0977
Weighted residual factors for all reflections included in the refinement	0.1286
Goodness-of-fit parameter for all reflections included in the refinement	1.001
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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