Crystallography Open Database

Information card for entry 7004133

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Structure parameters

Formula	C29 H15 F20 O3 P
Calculated formula	C29 H15 F20 O3 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)c1ccc(cc1)OC
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	9.867 ± 0.0002 Å
b	17.2 ± 0.0003 Å
c	18.874 ± 0.0003 Å
α	90°
β	101.858 ± 0.001°
γ	90°
Cell volume	3134.8 ± 0.1 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 K
Number of distinct elements	5
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	0.0635
Residual factor for significantly intense reflections	0.0486
Weighted residual factors for significantly intense reflections	0.1443
Weighted residual factors for all reflections included in the refinement	0.1689
Goodness-of-fit parameter for all reflections included in the refinement	1.153
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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