Crystallography Open Database

Information card for entry 7151030

Preview

Coordinates	7151030.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Cyclopropane-1,2-dicarboxylic acid diethyl ester
Formula	C9 H14 O4
Calculated formula	C9 H14 O4
Title of publication	A convenient chemo-enzymatic synthesis and 18F-labelling of both enantiomers of trans-1-toluenesulfonyloxymethyl-2-fluoromethyl-cyclopropane
Authors of publication	Riss, Patrick Johannes; Rösch, Frank
Journal of publication	Organic & Biomolecular Chemistry
Year of publication	2008
Journal volume	6
Journal issue	24
Pages of publication	4567 - 4574
a	7.042 ± 0.003 Å
b	18.432 ± 0.002 Å
c	15.5238 ± 0.0013 Å
α	90°
β	90°
γ	90°
Cell volume	2015 ± 0.9 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 2 K
Number of distinct elements	3
Space group number	20
Hermann-Mauguin space group symbol	C 2 2 21
Hall space group symbol	C 2c 2
Residual factor for all reflections	0.0665
Residual factor for significantly intense reflections	0.0641
Weighted residual factors for significantly intense reflections	0.1708
Weighted residual factors for all reflections included in the refinement	0.1755
Goodness-of-fit parameter for all reflections included in the refinement	1.048
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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