Crystallography Open Database

Information card for entry 1514413

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Coordinates	1514413.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C50 H70 Li2 N2 P2 Si4
Calculated formula	C50 H70 Li2 N2 P2 Si4
Title of publication	A metal‒amide dependent, catalytic C‒H functionalisation of triphenylphosphonium methylide
Authors of publication	Nako, Adi E.; White, Andrew J. P.; Crimmin, Mark R.
Journal of publication	Chemical Science
Year of publication	2013
Journal volume	4
Journal issue	2
Pages of publication	691
a	18.8666 ± 0.0004 Å
b	22.2888 ± 0.0005 Å
c	25.4992 ± 0.0006 Å
α	90°
β	100.652 ± 0.002°
γ	90°
Cell volume	10538 ± 0.4 Å³
Cell temperature	173 K
Ambient diffraction temperature	173 K
Number of distinct elements	6
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.0773
Residual factor for significantly intense reflections	0.0596
Weighted residual factors for significantly intense reflections	0.1549
Weighted residual factors for all reflections included in the refinement	0.1685
Goodness-of-fit parameter for all reflections included in the refinement	1.061
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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