Crystallography Open Database

Information card for entry 7129928

Preview

Coordinates	7129928.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H16 F2 Sn
Calculated formula	C19 H16 F2 Sn
SMILES	[Sn](C(F)F)(c1ccccc1)(c1ccccc1)c1ccccc1
Title of publication	Straightforward Synthesis of Bench-Stable Heteroatom-Centered Difluoromethylated Entities via the Controlled Nucleophilic Transfer from Activated TMSCHF2
Authors of publication	Miele, Margherita; Castoldi, Laura; Simeone, Xenia; Holzer, Wolfgang; Pace, Vittorio
Journal of publication	Chemical Communications
Year of publication	2022
a	9.4404 ± 0.0002 Å
b	9.7492 ± 0.0002 Å
c	18.7631 ± 0.0004 Å
α	78.2253 ± 0.0017°
β	84.6029 ± 0.001°
γ	79.0665 ± 0.0009°
Cell volume	1657.11 ± 0.06 Å³
Cell temperature	140 K
Ambient diffraction temperature	140 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	0.0482
Residual factor for significantly intense reflections	0.0317
Weighted residual factors for significantly intense reflections	0.0722
Weighted residual factors for all reflections included in the refinement	0.0764
Goodness-of-fit parameter for all reflections included in the refinement	1.08
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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