Crystallography Open Database

Information card for entry 1555905

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Structure parameters

Formula	C23 H33 F6 N O4
Calculated formula	C23 H33 F6 N O4
SMILES	N1(C(CCCC1(C)C)(C)C)O[C@H](C)[C@H](OC(C(F)(F)F)C(F)(F)F)c1ccc(c(c1)OC)OC.N1(C(CCCC1(C)C)(C)C)O[C@@H](C)[C@@H](OC(C(F)(F)F)C(F)(F)F)c1ccc(c(c1)OC)OC
Title of publication	Orthogonally Protected 1,2-Diols from Electron-Rich Alkenes Using Metal-Free Olefin syn-Dihydroxylation.
Authors of publication	Colomer, Ignacio; Barcelos, Rosimeire Coura; Christensen, Kirsten E.; Donohoe, Timothy J.
Journal of publication	Organic letters
Year of publication	2016
Journal volume	18
Journal issue	22
Pages of publication	5880 - 5883
a	8.6692 ± 0.0003 Å
b	9.105 ± 0.0004 Å
c	15.8619 ± 0.0006 Å
α	93.843 ± 0.003°
β	91.883 ± 0.003°
γ	99.166 ± 0.003°
Cell volume	1232.06 ± 0.08 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 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	0.0479
Residual factor for significantly intense reflections	0.0431
Weighted residual factors for all reflections	0.1141
Weighted residual factors for significantly intense reflections	0.1098
Weighted residual factors for all reflections included in the refinement	0.1141
Goodness-of-fit parameter for all reflections included in the refinement	0.9853
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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