Crystallography Open Database

Information card for entry 1573207

Preview

Coordinates	1573207.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	Ethyl (2<i>RS</i>,3<i>SR</i>,4<i>RS</i>)-1-ethyl-2-(furan-2-yl)-4-hydroxy-5-oxopyrrolidine-3-carboxylate
Formula	C13 H17 N O5
Calculated formula	C13 H17 N O5
Title of publication	Ethyl (2RS,3SR,4RS)-1-ethyl-2-(furan-2-yl)-4-hydroxy-5-oxopyrrolidine-3-carboxylate
Authors of publication	Mohd Rosli, Nor Habibah; Mohammat, Mohd Fazli; Abdul Manan, Mohd Abdul Fatah; Cordes, David B.; McKay, Aidan P.
Journal of publication	IUCrData
Year of publication	2024
Journal volume	9
Journal issue	11
a	11.15335 ± 0.00007 Å
b	17.41068 ± 0.00009 Å
c	14.0624 ± 0.00009 Å
α	90°
β	108.155 ± 0.0007°
γ	90°
Cell volume	2594.8 ± 0.03 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0385
Residual factor for significantly intense reflections	0.0361
Weighted residual factors for significantly intense reflections	0.1051
Weighted residual factors for all reflections included in the refinement	0.107
Goodness-of-fit parameter for all reflections included in the refinement	1.077
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
296006 (current)	2024-11-20	cif/ Adding structures of 1573207 via cif-deposit CGI script.	1573207.cif