Crystallography Open Database

Information card for entry 7161085

Preview

Coordinates	7161085.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	cyz-464
Formula	C44 H56 O2
Calculated formula	C44 H56 O2
Title of publication	Pyridine-boryl radicals-mediated reductive homocoupling of para-quinone methides
Authors of publication	Wang, Yan-Bo; Cui, Yan-Zhao; Li, He; Liu, Huiyi; Yuan, Hao-Qi; Zhou, Hao-Tian; Wang, Xiao-Sai
Journal of publication	Organic & Biomolecular Chemistry
Year of publication	2025
a	11.5516 ± 0.0011 Å
b	11.6796 ± 0.0012 Å
c	15.6122 ± 0.0015 Å
α	70.076 ± 0.003°
β	89.93 ± 0.003°
γ	75.343 ± 0.003°
Cell volume	1907.5 ± 0.3 Å³
Cell temperature	305 K
Ambient diffraction temperature	305 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	0.0729
Residual factor for significantly intense reflections	0.0486
Weighted residual factors for significantly intense reflections	0.1127
Weighted residual factors for all reflections included in the refinement	0.1277
Goodness-of-fit parameter for all reflections included in the refinement	1.035
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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