Crystallography Open Database

Information card for entry 7126008

Preview

Coordinates	7126008.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C33 H16 B F9 O2
Calculated formula	C33 H16 B F9 O2
SMILES	O1C(=C(C(=[O][B]1(c1cc(F)c(F)c(F)c1)c1cc(F)c(F)c(c1)F)c1ccccc1)c1cc(F)c(F)c(F)c1)c1ccccc1
Title of publication	1,3-Carboboration of iodonium ylides.
Authors of publication	Gazis, Theodore A.; Mohajeri Thaker, Bayan A. J.; Willcox, Darren; Ould, Darren M. C.; Wenz, Jan; Rawson, Jeremy M.; Hill, Michael S.; Wirth, Thomas; Melen, Rebecca L.
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2020
Journal volume	56
Journal issue	22
Pages of publication	3345 - 3348
a	9.717 ± 0.0004 Å
b	10.2493 ± 0.0005 Å
c	15.4586 ± 0.0009 Å
α	85.283 ± 0.004°
β	75.672 ± 0.004°
γ	66.463 ± 0.004°
Cell volume	1367.33 ± 0.13 Å³
Cell temperature	200 ± 0.2 K
Ambient diffraction temperature	200 ± 0.2 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	0.078
Residual factor for significantly intense reflections	0.0474
Weighted residual factors for significantly intense reflections	0.1307
Weighted residual factors for all reflections included in the refinement	0.1577
Goodness-of-fit parameter for all reflections included in the refinement	0.949
Diffraction radiation probe	x-ray
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
250160 (current)	2020-04-05	cif/ Updating files of 7126008, 7126009, 7126010, 7126011, 7126012 Original log message: Adding full bibliography for 7126008--7126012.cif.	7126008.cif
248190	2020-02-15	cif/ Adding structures of 7126008, 7126009, 7126010, 7126011, 7126012 via cif-deposit CGI script.	7126008.cif