Crystallography Open Database

Information card for entry 4130826

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Coordinates	4130826.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H26 B2 F8 Fe N4 O4
Calculated formula	C17 H26 B2 F8 Fe N4 O4
Title of publication	Iron(II)-Catalyzed Intermolecular Aminofluorination of Unfunctionalized Olefins Using Fluoride Ion.
Authors of publication	Lu, Deng-Fu; Zhu, Cheng-Liang; Sears, Jeffrey D.; Xu, Hao
Journal of publication	Journal of the American Chemical Society
Year of publication	2016
Journal volume	138
Journal issue	35
Pages of publication	11360 - 11367
a	8.4516 ± 0.0009 Å
b	13.5668 ± 0.0015 Å
c	11.368 ± 0.0013 Å
α	90°
β	97.205 ± 0.0017°
γ	90°
Cell volume	1293.2 ± 0.2 Å³
Cell temperature	110 ± 2 K
Ambient diffraction temperature	110 ± 2 K
Number of distinct elements	7
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0463
Residual factor for significantly intense reflections	0.0447
Weighted residual factors for significantly intense reflections	0.1195
Weighted residual factors for all reflections included in the refinement	0.1214
Goodness-of-fit parameter for all reflections included in the refinement	1.043
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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