Crystallography Open Database

Information card for entry 7117010

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Coordinates	7117010.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H29 F5 S2
Calculated formula	C42 H29 F5 S2
Title of publication	Thiophene synthesis via 1,1-carboboration
Authors of publication	Eller, Christina; Kehr, Gerald; Daniliuc, Constantin G.; Stephan, Douglas W.; Erker, Gerhard
Journal of publication	Chemical Communications (Cambridge, United Kingdom)
Year of publication	2015
Journal volume	51
Journal issue	33
Pages of publication	7226 - 7229
a	11.1959 ± 0.0002 Å
b	12.3836 ± 0.0003 Å
c	12.6296 ± 0.0004 Å
α	101.538 ± 0.001°
β	91.211 ± 0.001°
γ	91.197 ± 0.002°
Cell volume	1714.71 ± 0.08 Å³
Cell temperature	223 ± 2 K
Ambient diffraction temperature	223 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0843
Residual factor for significantly intense reflections	0.0646
Weighted residual factors for significantly intense reflections	0.1426
Weighted residual factors for all reflections included in the refinement	0.157
Goodness-of-fit parameter for all reflections included in the refinement	1.076
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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