Crystallography Open Database

Information card for entry 1550429

Preview

Structure parameters

Formula	C29 H21 B Br F10 N
Calculated formula	C29 H21 B Br F10 N
SMILES	BrC(=C)CC1(C[B]([n]2ccccc2)(c2c(F)c(F)c(F)c(F)c2F)c2c(F)c(F)c(F)c(F)c2F)CC(=C)CC(=C)C1
Title of publication	Halogenoborane mediated allene cyclooligomerization
Authors of publication	Erker, Gerhard; Tao, Xin; Wölke, Christian; Daniliuc, Constantin Gabriel; Kehr, Gerald
Journal of publication	Chemical Science
Year of publication	2019
a	10.2011 ± 0.0004 Å
b	11.0143 ± 0.0004 Å
c	12.5252 ± 0.0005 Å
α	88.743 ± 0.001°
β	80.865 ± 0.001°
γ	79.649 ± 0.001°
Cell volume	1366.81 ± 0.09 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.0311
Residual factor for significantly intense reflections	0.0295
Weighted residual factors for significantly intense reflections	0.0724
Weighted residual factors for all reflections included in the refinement	0.0734
Goodness-of-fit parameter for all reflections included in the refinement	1.039
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/1550429.html