Crystallography Open Database

Information card for entry 7159093

Preview

Coordinates	7159093.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C37 H30 O4
Calculated formula	C37 H30 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	10.912 ± 0.005 Å
b	13.188 ± 0.006 Å
c	13.432 ± 0.007 Å
α	63.593 ± 0.006°
β	77.553 ± 0.007°
γ	72.143 ± 0.007°
Cell volume	1640.8 ± 1.4 Å³
Cell temperature	300 K
Ambient diffraction temperature	300 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	0.1313
Residual factor for significantly intense reflections	0.0642
Weighted residual factors for significantly intense reflections	0.1768
Weighted residual factors for all reflections included in the refinement	0.2149
Goodness-of-fit parameter for all reflections included in the refinement	0.931
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

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