Crystallography Open Database

Information card for entry 4121743

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Coordinates	4121743.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H17 B S2
Calculated formula	C19 H17 B S2
Title of publication	Thiophene-Fused Borepins As Directly Functionalizable Boron-Containing π-Electron Systems.
Authors of publication	Levine, David R.; Siegler, Maxime A.; Tovar, John D.
Journal of publication	Journal of the American Chemical Society
Year of publication	2014
Journal volume	136
Journal issue	19
Pages of publication	7132 - 7139
a	15.2727 ± 0.0002 Å
b	8.01478 ± 0.00012 Å
c	26.8254 ± 0.0004 Å
α	90°
β	97.6459 ± 0.0016°
γ	90°
Cell volume	3254.43 ± 0.08 Å³
Cell temperature	110 ± 2 K
Ambient diffraction temperature	110 ± 2 K
Number of distinct elements	4
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	0.0402
Residual factor for significantly intense reflections	0.0343
Weighted residual factors for significantly intense reflections	0.0923
Weighted residual factors for all reflections included in the refinement	0.0962
Goodness-of-fit parameter for all reflections included in the refinement	1.036
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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