Crystallography Open Database

Information card for entry 7004134

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Structure parameters

Formula	C31 H19 F20 O2 P
Calculated formula	C31 H19 F20 O2 P
SMILES	c12ccccc1C(C(C(F)(F)F)(F)F)(C(C(F)(F)F)(F)F)OP12(c2ccccc2C(C(C(F)(F)F)(F)F)(C(C(F)(F)F)(F)F)O1)c1c(cc(cc1C)C)C
Title of publication	Synthesis, structure and isomerization of arylphosphoranes with anti-apicophilic bonding modes using a novel bidentate ligand with two C2F5 groups
Authors of publication	Jiang, Xin-Dong; Matsukawa, Shiro; Yamamoto, Yohsuke
Journal of publication	Dalton Transactions
Year of publication	2008
Journal issue	28
Pages of publication	3678 - 3687
a	9.996 ± 0.0002 Å
b	11.966 ± 0.0003 Å
c	14.191 ± 0.0003 Å
α	86.967 ± 0.001°
β	87.426 ± 0.001°
γ	68.097 ± 0.001°
Cell volume	1572.1 ± 0.06 Å³
Cell temperature	173 K
Ambient diffraction temperature	173 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	0.0393
Residual factor for significantly intense reflections	0.0352
Weighted residual factors for significantly intense reflections	0.1078
Weighted residual factors for all reflections included in the refinement	0.1256
Goodness-of-fit parameter for all reflections included in the refinement	1.126
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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