Crystallography Open Database

Information card for entry 4519289

4519288 << 4519289 >> 4519290

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Coordinates	4519289.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H40 B2 F3 Fe N O6
Calculated formula	C32 H40 B2 F3 Fe N O6
Title of publication	Chiral Bidentate Boryl Ligand-Enabled Iridium-Catalyzed Enantioselective Dual C–H Borylation of Ferrocenes: Reaction Development and Mechanistic Insights
Authors of publication	Zou, Xiaoliang; Li, Yinwu; Ke, Zhuofeng; Xu, Senmiao
Journal of publication	ACS Catalysis
Year of publication	2022
Pages of publication	1830 - 1840
a	11.6087 ± 0.0002 Å
b	12.4217 ± 0.0002 Å
c	22.4749 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	3240.88 ± 0.1 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120.02 K
Number of distinct elements	7
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0476
Residual factor for significantly intense reflections	0.0464
Weighted residual factors for significantly intense reflections	0.1128
Weighted residual factors for all reflections included in the refinement	0.1135
Goodness-of-fit parameter for all reflections included in the refinement	1.035
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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