Crystallography Open Database

Information card for entry 8106753

Preview

Coordinates	8106753.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H18 B F3 N2
Calculated formula	C19 H18 B F3 N2
Title of publication	Crystal structure of 5,5-difluoro-10-(4-fluorophenyl)-1,3,7,9-tetramethyl-5H-4l4,5l4-dipyrrolo[1,2-c:2′,1′-f][1,3,2]diazaborinine - a Z′ = 3 structure, C19H18B2F3N2
Authors of publication	Liu, Yingfan; Yan, Ming; Li, Xiaochuan; Li, Yajuan; Son, Young-A
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2017
Journal volume	232
Journal issue	6
Pages of publication	1013 - 1015
a	10.8885 ± 0.0006 Å
b	13.9767 ± 0.0008 Å
c	18.133 ± 0.001 Å
α	79.3484 ± 0.0019°
β	86.2213 ± 0.0009°
γ	73.461 ± 0.002°
Cell volume	2599.6 ± 0.3 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1344
Residual factor for significantly intense reflections	0.045
Weighted residual factors for significantly intense reflections	0.0897
Weighted residual factors for all reflections included in the refinement	0.1105
Goodness-of-fit parameter for all reflections included in the refinement	0.801
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
280857 (current)	2023-02-13	cif/ Adding structures of 8106753 via cif-deposit CGI script.	8106753.cif