Crystallography Open Database

Information card for entry 4132385

Preview

Coordinates	4132385.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H6 B F11
Calculated formula	C19 H6 B F11
SMILES	Fc1c(c(F)c(F)cc1F)B(c1c(F)c(F)cc(F)c1F)c1c(C(F)(F)F)cccc1
Title of publication	Main-Group-Catalyzed Reductive Alkylation of Multiply Substituted Amines with Aldehydes Using H<sub>2</sub>.
Authors of publication	Hoshimoto, Yoichi; Kinoshita, Takuya; Hazra, Sunit; Ohashi, Masato; Ogoshi, Sensuke
Journal of publication	Journal of the American Chemical Society
Year of publication	2018
Journal volume	140
Journal issue	23
Pages of publication	7292 - 7300
a	10.34417 ± 0.00019 Å
b	16.5497 ± 0.0003 Å
c	21.0086 ± 0.0004 Å
α	90°
β	105.661 ± 0.0008°
γ	90°
Cell volume	3463.01 ± 0.11 Å³
Cell temperature	123 K
Ambient diffraction temperature	123 K
Number of distinct elements	4
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	0.0739
Residual factor for significantly intense reflections	0.0438
Weighted residual factors for significantly intense reflections	0.0987
Weighted residual factors for all reflections included in the refinement	0.1291
Goodness-of-fit parameter for all reflections included in the refinement	1.149
Diffraction radiation wavelength	1.54187 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
242368 (current)	2019-11-26	cif/ Adding structures of 4132385, 4132386, 4132387, 4132388, 4132389 via cif-deposit CGI script.	4132385.cif