Crystallography Open Database

Information card for entry 4125385

Preview

Coordinates	4125385.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H35 B F10 N2 O2
Calculated formula	C40 H35 B F10 N2 O2
Title of publication	Reactions of Boron-Derived Radicals with Nucleophiles.
Authors of publication	Longobardi, Lauren E.; Zatsepin, Pavel; Korol, Roman; Liu, Lei; Grimme, Stefan; Stephan, Douglas W.
Journal of publication	Journal of the American Chemical Society
Year of publication	2017
Journal volume	139
Journal issue	1
Pages of publication	426 - 435
a	17.84 ± 0.002 Å
b	11.2767 ± 0.0013 Å
c	18.421 ± 0.002 Å
α	90°
β	106.581 ± 0.005°
γ	90°
Cell volume	3551.8 ± 0.7 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.1573
Residual factor for significantly intense reflections	0.0574
Weighted residual factors for significantly intense reflections	0.0962
Weighted residual factors for all reflections included in the refinement	0.1227
Goodness-of-fit parameter for all reflections included in the refinement	1.004
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
193473 (current)	2017-03-04	cif/ Updating files of 4125374, 4125375, 4125376, 4125377, 4125378, 4125379, 4125380, 4125381, 4125382, 4125383, 4125384, 4125385 Original log message: Adding full bibliography for 4125374--4125385.cif.	4125385.cif
189614	2017-01-01	cif/ Adding structures of 4125385 via cif-deposit CGI script.	4125385.cif