Crystallography Open Database

Information card for entry 7119761

7119760 << 7119761 >> 7119762

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Coordinates	7119761.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C56 H44 F5 O4 P3 S
Calculated formula	C56 H44 F5 O4 P3 S
SMILES	P(c1ccccc1)(c1ccccc1)(c1ccccc1)=C(P(=O)(c1ccccc1)c1ccccc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1.S(=O)(=O)([O-])C(F)(F)F.Fc1c(F)cccc1
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	22.6503 ± 0.0008 Å
b	21.0918 ± 0.0007 Å
c	19.7027 ± 0.0007 Å
α	90°
β	98.32 ± 0.001°
γ	90°
Cell volume	9313.6 ± 0.6 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0757
Residual factor for significantly intense reflections	0.0472
Weighted residual factors for significantly intense reflections	0.1112
Weighted residual factors for all reflections included in the refinement	0.1272
Goodness-of-fit parameter for all reflections included in the refinement	1.022
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
194066 (current)	2017-03-08	cif/ Adding structures of 7119760, 7119761, 7119762, 7119763, 7119764, 7119765, 7119766, 7119767, 7119768 via cif-deposit CGI script.	7119761.cif