Crystallography Open Database

Information card for entry 4021410

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Structure parameters

Common name	1,2-oxaphosphetane
Formula	C19 H11 F12 O2 P
Calculated formula	C19 H11 F12 O2 P
SMILES	P12(OC(C1)(C(F)(F)F)C(F)(F)F)(OC(c1c2cccc1)(C(F)(F)F)C(F)(F)F)c1ccccc1
Title of publication	Syntheses, Structures, and Thermolyses of Pentacoordinate 1,2-Oxastibetanes: Potential Intermediates in the Reactions of Stibonium Ylides with Carbonyl Compounds
Authors of publication	Yosuke Uchiyama; Naokazu Kano; Takayuki Kawashima
Journal of publication	Journal of Organic Chemistry
Year of publication	2006
Journal volume	71
Pages of publication	659 - 670
a	13.246 ± 0.008 Å
b	14.373 ± 0.008 Å
c	22.504 ± 0.01 Å
α	74.127 ± 0.018°
β	82.513 ± 0.016°
γ	87.621 ± 0.019°
Cell volume	4086 ± 4 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 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	0.082
Residual factor for significantly intense reflections	0.0642
Weighted residual factors for significantly intense reflections	0.1377
Weighted residual factors for all reflections included in the refinement	0.1489
Goodness-of-fit parameter for all reflections included in the refinement	1.069
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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