Crystallography Open Database

Information card for entry 7122076

7122075 << 7122076 >> 7122077

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Coordinates	7122076.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C8 H8 F2 O S
Calculated formula	C8 H8 F2 O S
Title of publication	Access towards enantiopure α,α-difluoromethyl alcohols by means of sulfoxides as traceless chiral auxiliaries.
Authors of publication	Batisse, Chloé; Panossian, Armen; Hanquet, Gilles; Leroux, Frédéric R
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2018
Journal volume	54
Journal issue	74
Pages of publication	10423 - 10426
a	4.9111 ± 0.0001 Å
b	8.9793 ± 0.0002 Å
c	18.918 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	834.25 ± 0.03 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0388
Residual factor for significantly intense reflections	0.0327
Weighted residual factors for significantly intense reflections	0.0845
Weighted residual factors for all reflections included in the refinement	0.0926
Goodness-of-fit parameter for all reflections included in the refinement	1.14
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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