Crystallography Open Database

Information card for entry 7156872

Preview

Coordinates	7156872.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H21 B F4 O2
Calculated formula	C28 H21 B F4 O2
Title of publication	Borylative cyclisation of diynes using BCl<sub>3</sub> and borocations.
Authors of publication	Warner, Andrew J.; Enright, Kieron M.; Cole, John M.; Yuan, Kang; McGough, John S.; Ingleson, Michael J.
Journal of publication	Organic & biomolecular chemistry
Year of publication	2019
Journal volume	17
Journal issue	22
Pages of publication	5520 - 5525
a	8.1811 ± 0.0005 Å
b	12.0413 ± 0.0009 Å
c	12.5311 ± 0.001 Å
α	74.768 ± 0.007°
β	73.263 ± 0.006°
γ	72.295 ± 0.006°
Cell volume	1105.21 ± 0.15 Å³
Cell temperature	150.02 ± 0.1 K
Ambient diffraction temperature	150.02 ± 0.1 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	0.0989
Residual factor for significantly intense reflections	0.0587
Weighted residual factors for significantly intense reflections	0.1168
Weighted residual factors for all reflections included in the refinement	0.1433
Goodness-of-fit parameter for all reflections included in the refinement	1.0502
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
225055 (current)	2019-11-08	cif/ Updating files of 7156872, 7156873 Original log message: Adding full bibliography for 7156872--7156873.cif.	7156872.cif
215343	2019-05-21	cif/ Adding structures of 7156872, 7156873 via cif-deposit CGI script.	7156872.cif