Crystallography Open Database

Information card for entry 4085062

Preview

Coordinates	4085062.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C35 H23 B2 F15 O Si2
Calculated formula	C35 H23 B2 F15 O Si2
SMILES	O=C=C1B(C([Si](C)(C)C)([Si](C)(C)C)C(=C1B(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)c1ccccc1
Title of publication	Reactions of Boroles Formed by 1,1-Carboboration
Authors of publication	Ge, Fang; Kehr, Gerald; Daniliuc, Constantin G.; Erker, Gerhard
Journal of publication	Organometallics
Year of publication	2015
Journal volume	34
Journal issue	1
Pages of publication	229
a	10.5302 ± 0.0003 Å
b	16.2392 ± 0.0004 Å
c	21.4935 ± 0.0007 Å
α	90°
β	102.553 ± 0.001°
γ	90°
Cell volume	3587.57 ± 0.18 Å³
Cell temperature	223 ± 2 K
Ambient diffraction temperature	223 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0446
Residual factor for significantly intense reflections	0.0422
Weighted residual factors for significantly intense reflections	0.1126
Weighted residual factors for all reflections included in the refinement	0.1147
Goodness-of-fit parameter for all reflections included in the refinement	1.042
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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