Crystallography Open Database

Information card for entry 7158047

Preview

Coordinates	7158047.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C74 H56 F21 N O4 Sb2
Calculated formula	C74 H56 F21 N O4 Sb2
SMILES	[Sb]12([F][Sb]3(Oc4c(O3)c3c(F)c(F)c(F)c(F)c3c3c(F)c(F)c(F)c(F)c43)(c3c2c(F)c(F)c(F)c3F)(c2ccccc2)c2ccccc2)(Oc2c(O1)c1c(F)c(F)c(F)c(F)c1c1c(F)c(F)c(F)c(F)c21)(c1ccccc1)c1ccccc1.[N+](CCCC)(CCCC)(CCCC)CCCC
Title of publication	Distiboranes based on <i>ortho</i>-phenylene backbones as bidentate Lewis acids for fluoride anion chelation.
Authors of publication	You, Di; Zhou, Benyu; Hirai, Masato; Gabbaï, François P
Journal of publication	Organic & biomolecular chemistry
Year of publication	2021
Journal volume	19
Journal issue	22
Pages of publication	4949 - 4957
a	21.576 Å
b	13.045 Å
c	24.513 Å
α	90°
β	105.31°
γ	90°
Cell volume	6654.55 Å³
Cell temperature	110 K
Ambient diffraction temperature	110 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0314
Residual factor for significantly intense reflections	0.0223
Weighted residual factors for significantly intense reflections	0.0455
Weighted residual factors for all reflections included in the refinement	0.0486
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	No
Has F_obs	No

Version history

Revision	Date	Message	Files
267229 (current)	2021-07-05	cif/ Updating files of 7158045, 7158046, 7158047, 7158048, 7158049, 7158050 Original log message: Adding full bibliography for 7158045--7158050.cif.	7158047.cif
264750	2021-05-01	cif/ Adding structures of 7158045, 7158046, 7158047, 7158048, 7158049, 7158050 via cif-deposit CGI script.	7158047.cif