Crystallography Open Database

Information card for entry 7158046

Preview

Coordinates	7158046.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	none
Formula	C32 H15 F8 O2 Sb
Calculated formula	C32 H15 F8 O2 Sb
SMILES	[Sb]1(Oc2c(O1)c1c(F)c(F)c(F)c(F)c1c1c(F)c(F)c(F)c(F)c21)(c1ccccc1)(c1ccccc1)c1ccccc1
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	8.8626 ± 0.0012 Å
b	11.4164 ± 0.0015 Å
c	12.8227 ± 0.0017 Å
α	96.74 ± 0.002°
β	92.201 ± 0.002°
γ	91.203 ± 0.002°
Cell volume	1287 ± 0.3 Å³
Cell temperature	110 ± 2 K
Ambient diffraction temperature	110 ± 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	0.0253
Residual factor for significantly intense reflections	0.0228
Weighted residual factors for significantly intense reflections	0.0558
Weighted residual factors for all reflections included in the refinement	0.0571
Goodness-of-fit parameter for all reflections included in the refinement	1.057
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.	7158046.cif
264750	2021-05-01	cif/ Adding structures of 7158045, 7158046, 7158047, 7158048, 7158049, 7158050 via cif-deposit CGI script.	7158046.cif