Crystallography Open Database

Information card for entry 7130947

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Coordinates	7130947.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C13 H25 P Si2
Calculated formula	C13 H25 P Si2
Title of publication	Triple dehydrofluorination as a route to amidine-functionalized, aromatic phosphorus heterocycles
Authors of publication	Coles, Nathan Thomas; Groth, Lucie; Dettling, Lea; Frost, Daniel Sebastian; Rigo, Massimo; Neale, Samuel E.; Muller, Christian
Journal of publication	Chemical Communications
Year of publication	2022
a	10.5114 ± 0.0003 Å
b	13.505 ± 0.0003 Å
c	14.7354 ± 0.0003 Å
α	85.562 ± 0.001°
β	79.363 ± 0.001°
γ	86.769 ± 0.001°
Cell volume	2047.79 ± 0.09 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 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	0.0756
Residual factor for significantly intense reflections	0.0453
Weighted residual factors for significantly intense reflections	0.0981
Weighted residual factors for all reflections included in the refinement	0.1166
Goodness-of-fit parameter for all reflections included in the refinement	1.045
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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