Crystallography Open Database

Information card for entry 7237819

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Coordinates	7237819.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C107 H89 Cl3 O4
Calculated formula	C107 H89 Cl3 O4
Title of publication	The enhanced two-photon absorption behavior of twistfuranacenes to phenylacetylene-functionalized twistacenes
Authors of publication	Song, Tingting; Han, Yanbing; Jin, Pengcheng; Li, Xiaofang; Song, Yinglin; Xiao, Jinchong
Journal of publication	Journal of Materials Chemistry C
Year of publication	2019
Journal volume	7
Journal issue	21
Pages of publication	6344
a	17.9559 ± 0.0015 Å
b	69.78 ± 0.004 Å
c	13.5926 ± 0.0012 Å
α	90°
β	90°
γ	90°
Cell volume	17031 ± 2 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	4
Space group number	43
Hermann-Mauguin space group symbol	F d d 2
Hall space group symbol	F 2 -2d
Residual factor for all reflections	0.1088
Residual factor for significantly intense reflections	0.0514
Weighted residual factors for significantly intense reflections	0.0893
Weighted residual factors for all reflections included in the refinement	0.0995
Goodness-of-fit parameter for all reflections included in the refinement	1.006
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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