Crystallography Open Database

Information card for entry 7118202

Preview

Coordinates	7118202.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H6 B F15 O
Calculated formula	C25 H6 B F15 O
SMILES	[B]([O]=Cc1ccccc1)(c1c(F)c(F)c(F)c(F)c1F)(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F
Title of publication	Cyclopropane formation under frustrated Lewis pair conditions.
Authors of publication	Krupski, Sergei; Kehr, Gerald; Daniliuc, Constantin G.; Erker, Gerhard
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2016
Journal volume	52
Journal issue	13
Pages of publication	2695 - 2697
a	9.4516 ± 0.0004 Å
b	12.1427 ± 0.0005 Å
c	12.2399 ± 0.0004 Å
α	110.414 ± 0.001°
β	100.07 ± 0.001°
γ	97.111 ± 0.001°
Cell volume	1269.99 ± 0.09 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.0466
Residual factor for significantly intense reflections	0.036
Weighted residual factors for significantly intense reflections	0.0929
Weighted residual factors for all reflections included in the refinement	0.0979
Goodness-of-fit parameter for all reflections included in the refinement	1.06
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
177634 (current)	2016-03-05	cif/ Updating files of 7118199, 7118200, 7118201, 7118202 Original log message: Adding full bibliography for 7118199--7118202.cif.	7118202.cif
171853	2016-01-01	cif/ Adding structures of 7118199, 7118200, 7118201, 7118202 via cif-deposit CGI script.	7118202.cif