Crystallography Open Database

Information card for entry 7157012

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Coordinates	7157012.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C80 H80 N2 O4
Calculated formula	C80 H80 N2 O4
Title of publication	Facile and versatile access to substituted hexabenzoovalene derivatives: characterization and optoelectronic properties.
Authors of publication	Wang, Lijiao; Hao, Wei; Han, Yanbing; Shi, Yamei; Li, Shuzhou; Zhang, Chunfang; Xiao, Jinchong
Journal of publication	Organic & biomolecular chemistry
Year of publication	2019
Journal volume	17
Journal issue	34
Pages of publication	7964 - 7972
a	25.978 ± 0.002 Å
b	16.4871 ± 0.0015 Å
c	16.06 ± 0.0014 Å
α	90°
β	94.502 ± 0.001°
γ	90°
Cell volume	6857.3 ± 1 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.108
Residual factor for significantly intense reflections	0.0571
Weighted residual factors for significantly intense reflections	0.1603
Weighted residual factors for all reflections included in the refinement	0.1792
Goodness-of-fit parameter for all reflections included in the refinement	1.033
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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