Crystallography Open Database

Information card for entry 1506953

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Structure parameters

Formula	C56 H34 F24 O3 P2
Calculated formula	C56 H34 F24 O3 P2
SMILES	P(=O)(c1c(c2ccccc2cc1)c1c(P(=O)(c2cc(cc(c2)C(F)(F)F)C(F)(F)F)c2cc(cc(c2)C(F)(F)F)C(F)(F)F)ccc2ccccc12)(c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cc(cc(c1)C(F)(F)F)C(F)(F)F.O(CC)CC
Title of publication	Stereospecific deoxygenation of phosphine oxides with retention of configuration using triphenylphosphine or triethyl phosphite as an oxygen acceptor.
Authors of publication	Wu, Hai-Chen; Yu, Jin-Quan; Spencer, Jonathan B.
Journal of publication	Organic letters
Year of publication	2004
Journal volume	6
Journal issue	25
Pages of publication	4675 - 4678
a	12.7183 ± 0.0005 Å
b	15.7674 ± 0.0007 Å
c	16.5468 ± 0.0007 Å
α	67.448 ± 0.002°
β	67.65 ± 0.002°
γ	71.824 ± 0.002°
Cell volume	2780.2 ± 0.2 Å³
Cell temperature	180 ± 2 K
Ambient diffraction temperature	180 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1314
Residual factor for significantly intense reflections	0.0973
Weighted residual factors for significantly intense reflections	0.2669
Weighted residual factors for all reflections included in the refinement	0.3056
Goodness-of-fit parameter for all reflections included in the refinement	1.05
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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