Crystallography Open Database

Information card for entry 7046845

Preview

Coordinates	7046845.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H28 B F10 N
Calculated formula	C32 H28 B F10 N
Title of publication	Formation of borata-alkene/iminium zwitterions by ynamine hydroboration.
Authors of publication	Wang, Long; Jian, Zhongbao; Daniliuc, Constantin G.; Kehr, Gerald; Erker, Gerhard
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2018
Journal volume	47
Journal issue	32
Pages of publication	10853 - 10856
a	8.6741 ± 0.0003 Å
b	11.6278 ± 0.0004 Å
c	14.9181 ± 0.0005 Å
α	83.155 ± 0.001°
β	85.939 ± 0.001°
γ	77.609 ± 0.001°
Cell volume	1457.54 ± 0.09 Å³
Cell temperature	223 ± 2 K
Ambient diffraction temperature	223 ± 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	0.1063
Residual factor for significantly intense reflections	0.0727
Weighted residual factors for significantly intense reflections	0.1248
Weighted residual factors for all reflections included in the refinement	0.145
Goodness-of-fit parameter for all reflections included in the refinement	1.124
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
229369 (current)	2019-11-17	cif/ Updating files of 7046836, 7046837, 7046838, 7046839, 7046840, 7046841, 7046842, 7046843, 7046844, 7046845 Original log message: Adding full bibliography for 7046836--7046845.cif.	7046845.cif
208612	2018-06-23	cif/ Adding structures of 7046836, 7046837, 7046838, 7046839, 7046840, 7046841, 7046842, 7046843, 7046844, 7046845 via cif-deposit CGI script.	7046845.cif