Crystallography Open Database

Information card for entry 7161084

Preview

Coordinates	7161084.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	CYZ-285
Formula	C21 H25 Cl2 O
Calculated formula	C21 H25 Cl2 O
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	22.434 ± 0.005 Å
b	15.147 ± 0.003 Å
c	18.526 ± 0.005 Å
α	90°
β	132.633 ± 0.006°
γ	90°
Cell volume	4631.5 ± 1.9 Å³
Cell temperature	294 K
Ambient diffraction temperature	294 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	0.127
Residual factor for significantly intense reflections	0.0877
Weighted residual factors for significantly intense reflections	0.2406
Weighted residual factors for all reflections included in the refinement	0.2672
Goodness-of-fit parameter for all reflections included in the refinement	1.097
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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