Crystallography Open Database

Information card for entry 4088151

Preview

Coordinates	4088151.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C49 H35 B F15 N O P Si
Calculated formula	C49 H35 B F15 N O P Si
SMILES	P1(=N(=O)[B]2(C(=C1c1c(cc(cc1C)C)C)c1c(C(=C2c2c(F)c(F)c(F)c(F)c2F)[Si](C)(C)C)cccc1)c1c(F)c(F)c(F)c(F)c1F)(c1c(cc(cc1C)C)C)c1c(F)c(F)c(F)c(F)c1F
Title of publication	FLPNO Nitroxide Radical Formation by a 1,1-Carboboration Route
Authors of publication	Liedtke, René; Eller, Christina; Daniliuc, Constantin G.; Williams, Kamille; Warren, Timothy H.; Tesch, Matthias; Studer, Armido; Kehr, Gerald; Erker, Gerhard
Journal of publication	Organometallics
Year of publication	2015
Journal volume	35
Journal issue	1
Pages of publication	55
a	29.7467 ± 0.0007 Å
b	16.9992 ± 0.0006 Å
c	24.349 ± 0.0007 Å
α	90°
β	121.784 ± 0.002°
γ	90°
Cell volume	10466.2 ± 0.6 Å³
Cell temperature	223 ± 2 K
Ambient diffraction temperature	223 ± 2 K
Number of distinct elements	8
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0873
Residual factor for significantly intense reflections	0.0597
Weighted residual factors for significantly intense reflections	0.1598
Weighted residual factors for all reflections included in the refinement	0.1752
Goodness-of-fit parameter for all reflections included in the refinement	1.093
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
237316 (current)	2019-11-24	cif/ Adding structures of 4088149, 4088150, 4088151, 4088152, 4088153 via cif-deposit CGI script.	4088151.cif