Crystallography Open Database

Information card for entry 7135738

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Coordinates	7135738.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H26 B Fe N O6
Calculated formula	C25 H26 B Fe N O6
Title of publication	Highly diastereoselective synthesis of borylcyclopropanes by copper-catalyzed borylcyclopropanation of alkenes with enynones
Authors of publication	Lu, Fei; Song, Daan; Sun, Xinhao; Zhi, Ling; Liu, Xiaoyun; Zhao, Ximei; Wang, Guanghui
Journal of publication	Chemical Communications
Year of publication	2026
a	13.3287 ± 0.0004 Å
b	11.516 ± 0.0004 Å
c	30.4997 ± 0.0009 Å
α	90°
β	90°
γ	90°
Cell volume	4681.5 ± 0.3 Å³
Cell temperature	174 K
Ambient diffraction temperature	174 K
Number of distinct elements	6
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.1334
Residual factor for significantly intense reflections	0.0977
Weighted residual factors for significantly intense reflections	0.1821
Weighted residual factors for all reflections included in the refinement	0.1982
Goodness-of-fit parameter for all reflections included in the refinement	1.151
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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