Crystallography Open Database

Information card for entry 7248641

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Coordinates	7248641.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C10 H10 B F O2 Si
Calculated formula	C10 H10 B F O2 Si
SMILES	[Si]1(OB(O)c2c1c(F)c(C#C)cc2)(C)C
Title of publication	Ethynyl-substituted benzosiloxaboroles: the role of C(π)⋯B interactions in their crystal packing and use in Cu(i)-catalyzed 1,3-dipolar cycloaddition
Authors of publication	Pacholak, P.; Durka, K.; Woźniak, K.; Krajewska, J.; Laudy, A. E.; Luliński, S.
Journal of publication	RSC Advances
Year of publication	2024
Journal volume	14
Journal issue	23
Pages of publication	16069 - 16082
a	6.9862 ± 0.0002 Å
b	7.4451 ± 0.0002 Å
c	10.5854 ± 0.0002 Å
α	92.553 ± 0.002°
β	97.855 ± 0.002°
γ	91.766 ± 0.002°
Cell volume	544.49 ± 0.02 Å³
Cell temperature	100 ± 0.1 K
Ambient diffraction temperature	100 ± 0.1 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	0.0304
Residual factor for significantly intense reflections	0.0284
Weighted residual factors for significantly intense reflections	0.0768
Weighted residual factors for all reflections included in the refinement	0.0783
Goodness-of-fit parameter for all reflections included in the refinement	1.046
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
291948 (current)	2024-05-18	cif/ Adding structures of 7248641, 7248642, 7248643, 7248644, 7248645, 7248646 via cif-deposit CGI script.	7248641.cif