Crystallography Open Database

Information card for entry 7036912

Preview

Coordinates	7036912.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31 H23 B2 F18 N O2
Calculated formula	C31 H23 B2 F18 N O2
Title of publication	Synthesis of 2-(lutidinyl)organoboranes and their reactivities against dihydrogen and pinacol borane.
Authors of publication	Zheng, Junhao; Lin, Yue-Jian; Wang, Huadong
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2016
Journal volume	45
Journal issue	14
Pages of publication	6088 - 6093
a	8.8508 ± 0.0016 Å
b	11.638 ± 0.002 Å
c	17.057 ± 0.003 Å
α	92.54 ± 0.003°
β	90.638 ± 0.003°
γ	106.369 ± 0.003°
Cell volume	1683.6 ± 0.5 Å³
Cell temperature	203 ± 2 K
Ambient diffraction temperature	203 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0721
Residual factor for significantly intense reflections	0.0536
Weighted residual factors for significantly intense reflections	0.1608
Weighted residual factors for all reflections included in the refinement	0.1828
Goodness-of-fit parameter for all reflections included in the refinement	1.039
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
181739 (current)	2016-04-05	cif/ Updating files of 7036908, 7036909, 7036910, 7036911, 7036912, 7036913, 7036914 Original log message: Adding full bibliography for 7036908--7036914.cif.	7036912.cif
169403	2015-10-21	cif/ Adding structures of 7036908, 7036909, 7036910, 7036911, 7036912, 7036913, 7036914 via cif-deposit CGI script.	7036912.cif