Crystallography Open Database

Information card for entry 4133919

Preview

Coordinates	4133919.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C10 H11 B F3 K O5
Calculated formula	C10 H11 B F3 K O5
Title of publication	Visible Light-Induced Borylation of C-O, C-N, and C-X Bonds.
Authors of publication	Jin, Shengfei; Dang, Hang T.; Haug, Graham C.; He, Ru; Nguyen, Viet D.; Nguyen, Vu T.; Arman, Hadi D.; Schanze, Kirk S.; Larionov, Oleg V.
Journal of publication	Journal of the American Chemical Society
Year of publication	2020
Journal volume	142
Journal issue	3
Pages of publication	1603 - 1613
a	8.0689 ± 0.0002 Å
b	19.1049 ± 0.0005 Å
c	8.649 ± 0.0002 Å
α	90°
β	90°
γ	90°
Cell volume	1333.29 ± 0.06 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	29
Hermann-Mauguin space group symbol	P c a 21
Hall space group symbol	P 2c -2ac
Residual factor for all reflections	0.0222
Residual factor for significantly intense reflections	0.0221
Weighted residual factors for significantly intense reflections	0.0593
Weighted residual factors for all reflections included in the refinement	0.0593
Goodness-of-fit parameter for all reflections included in the refinement	1.089
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
247535 (current)	2020-02-04	cif/ Updating files of 4133912, 4133913, 4133914, 4133915, 4133916, 4133917, 4133918, 4133919, 4133920, 4133921, 4133922, 4133923, 4133924, 4133925, 4133926, 4133927, 4133928, 4133929, 4133930, 4133931, 4133932, 4133933 Original log message: Adding full bibliography for 4133912--4133933.cif.	4133919.cif
246687	2020-01-11	cif/ Adding structures of 4133919 via cif-deposit CGI script.	4133919.cif