Crystallography Open Database

Information card for entry 7159096

Preview

Coordinates	7159096.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C35 H26 O4
Calculated formula	C35 H26 O4
Title of publication	Fused diethynylbenzenes and phenanthrenes <i>via</i> arynes with alkynylsilanes.
Authors of publication	Dong, Jie; Lei, Yu; Hu, Qiong; Zong, Lingli; Zhang, Ke; Zhang, Yajuan; Hu, Yimin
Journal of publication	Organic & biomolecular chemistry
Year of publication	2023
Journal volume	21
Journal issue	13
Pages of publication	2715 - 2719
a	25.511 ± 0.003 Å
b	14.995 ± 0.003 Å
c	15.259 ± 0.002 Å
α	90°
β	115.37 ± 0.006°
γ	90°
Cell volume	5274.2 ± 1.4 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273.15 K
Number of distinct elements	3
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	0.129
Residual factor for significantly intense reflections	0.075
Weighted residual factors for significantly intense reflections	0.1883
Weighted residual factors for all reflections included in the refinement	0.2271
Goodness-of-fit parameter for all reflections included in the refinement	1.091
Diffraction radiation probe	x-ray
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/7159096.html