Crystallography Open Database

Information card for entry 7117016

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Coordinates	7117016.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H23 F5 S
Calculated formula	C24 H23 F5 S
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	24.4977 ± 0.0003 Å
b	10.2132 ± 0.0001 Å
c	19.1177 ± 0.0002 Å
α	90°
β	112.3 ± 0.001°
γ	90°
Cell volume	4425.51 ± 0.09 Å³
Cell temperature	223 ± 2 K
Ambient diffraction temperature	223 ± 2 K
Number of distinct elements	4
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	0.06
Residual factor for significantly intense reflections	0.0497
Weighted residual factors for significantly intense reflections	0.1174
Weighted residual factors for all reflections included in the refinement	0.1261
Goodness-of-fit parameter for all reflections included in the refinement	1.054
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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