Crystallography Open Database

Information card for entry 4088150

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Structure parameters

Formula	C49 H35 B F15 P Si
Calculated formula	C49 H35 B F15 P Si
SMILES	[P]1([B]3(C(=C1c1c(cc(cc1C)C)C)c1c(C(=C3c2c(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	11.2041 ± 0.0004 Å
b	12.3549 ± 0.0003 Å
c	18.8061 ± 0.0006 Å
α	98.261 ± 0.002°
β	95.506 ± 0.002°
γ	103.061 ± 0.001°
Cell volume	2487.22 ± 0.14 Å³
Cell temperature	223 ± 2 K
Ambient diffraction temperature	223 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0527
Residual factor for significantly intense reflections	0.0445
Weighted residual factors for significantly intense reflections	0.1194
Weighted residual factors for all reflections included in the refinement	0.1247
Goodness-of-fit parameter for all reflections included in the refinement	1.059
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
301831 (current)	2025-08-20	Add cross-references to PubChem compounds in COD range 4/08/ Each referenced PubChem compound corresponds to the full crystal structure.	4088150.cif
237316	2019-11-24	cif/ Adding structures of 4088149, 4088150, 4088151, 4088152, 4088153 via cif-deposit CGI script.	4088150.cif