Crystallography Open Database

Information card for entry 1574598

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Coordinates	1574598.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H34 B2 O4
Calculated formula	C22 H34 B2 O4
Title of publication	Synthesis of gem-di(boryl)cyclopropanes from non-activated olefins via Mn-photocatalyzed atom transfer radical addition
Authors of publication	Hu, Jiefeng; Zhang, Kun; Wang, Jing; Huang, Mingming; Chen, Shuangru; Shi, Zhuangzhi; Marder, Todd B.
Journal of publication	Chemical Science
Year of publication	2025
Journal volume	16
Journal issue	23
Pages of publication	10595 - 10601
a	13.1753 ± 0.0017 Å
b	15.5076 ± 0.0019 Å
c	12.1845 ± 0.0015 Å
α	90°
β	115.425 ± 0.003°
γ	90°
Cell volume	2248.4 ± 0.5 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296.15 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.2089
Residual factor for significantly intense reflections	0.0988
Weighted residual factors for significantly intense reflections	0.2314
Weighted residual factors for all reflections included in the refinement	0.2878
Goodness-of-fit parameter for all reflections included in the refinement	1.019
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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