Crystallography Open Database

Information card for entry 4063262

Preview

Structure parameters

Formula	C34 H8 B2 F20 O
Calculated formula	C34 H8 B2 F20 O
SMILES	Fc1c(c(c(F)c(F)c1F)[B]1([O]2CCCC2)c2c(F)c(F)c(F)c(F)c2c2c(F)c(F)c(F)c(F)c12)B1c2c(c(F)c(c(F)c2F)F)c2c1c(F)c(F)c(F)c2F
Title of publication	Bifunctional Perfluoroaryl Boranes: Synthesis and Coordination Chemistry with Neutral Lewis Base Donors
Authors of publication	Preston A. Chase; Lee D. Henderson; Warren E. Piers; Masood Parvez; William Clegg; Mark R. J. Elsegood
Journal of publication	Organometallics
Year of publication	2006
Journal volume	25
Journal issue	2
Pages of publication	349 - 357
a	10.286 ± 0.0002 Å
b	14.5109 ± 0.0003 Å
c	20.4735 ± 0.0005 Å
α	90°
β	104.069 ± 0.0008°
γ	90°
Cell volume	2964.19 ± 0.11 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0906
Residual factor for significantly intense reflections	0.0418
Weighted residual factors for significantly intense reflections	0.0935
Weighted residual factors for all reflections included in the refinement	0.1137
Goodness-of-fit parameter for all reflections included in the refinement	0.971
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4063262.html