Crystallography Open Database

Information card for entry 7119760

7119759 << 7119760 >> 7119761

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Coordinates	7119760.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C55 H42 F7 N O6 P3 S2
Calculated formula	C55 H42 F7 N O6 P3 S2
Title of publication	Carbodiphosphorane mediated synthesis of a triflyloxyphosphonium dication and its reactivity towards nucleophiles.
Authors of publication	Yogendra, S.; Hennersdorf, F.; Bauzá, A; Frontera, A.; Fischer, R.; Weigand, J. J.
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2017
Journal volume	53
Journal issue	20
Pages of publication	2954 - 2957
a	17.93704 ± 0.00009 Å
b	30.59463 ± 0.00014 Å
c	18.10622 ± 0.00009 Å
α	90°
β	90°
γ	90°
Cell volume	9936.28 ± 0.08 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 K
Number of distinct elements	7
Space group number	56
Hermann-Mauguin space group symbol	P c c n
Hall space group symbol	-P 2ab 2ac
Residual factor for all reflections	0.0283
Residual factor for significantly intense reflections	0.0269
Weighted residual factors for significantly intense reflections	0.0698
Weighted residual factors for all reflections included in the refinement	0.0708
Goodness-of-fit parameter for all reflections included in the refinement	1.027
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
194066 (current)	2017-03-08	cif/ Adding structures of 7119760, 7119761, 7119762, 7119763, 7119764, 7119765, 7119766, 7119767, 7119768 via cif-deposit CGI script.	7119760.cif