Crystallography Open Database

Information card for entry 7119762

7119761 << 7119762 >> 7119763

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Coordinates	7119762.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C52 H40 F9 O9 P3 S3
Calculated formula	C52 H40 F9 O9 P3 S3
SMILES	S(=O)(=O)([O-])C(F)(F)F.S(=O)(=O)(OP(=C([P+](c1ccccc1)(c1ccccc1)c1ccccc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)C(F)(F)F.C(F)(F)(F)S(=O)(=O)[O-]
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	11.1377 ± 0.0007 Å
b	30.8211 ± 0.0015 Å
c	15.1641 ± 0.0009 Å
α	90°
β	99.058 ± 0.002°
γ	90°
Cell volume	5140.6 ± 0.5 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1237
Residual factor for significantly intense reflections	0.0796
Weighted residual factors for significantly intense reflections	0.1787
Weighted residual factors for all reflections included in the refinement	0.1997
Goodness-of-fit parameter for all reflections included in the refinement	1.059
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.	7119762.cif