Crystallography Open Database

Information card for entry 7239009

Preview

Coordinates	7239009.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	3-Butoxycarbonyl-4-methylthiazolidin-2-one, compound 31
Formula	C9 H15 N O3 S
Calculated formula	C9 H15 N O3 S
Title of publication	Activation and regioselectivity of five-membered cyclic thionocarbamates to nucleophilic attack
Authors of publication	Awheda, Ismail; Saygili, Nezire; Garner, A. Christopher; Wallis, John D.
Journal of publication	RSC Advances
Year of publication	2013
Journal volume	3
Journal issue	47
Pages of publication	24997
a	9.6972 ± 0.0006 Å
b	6.7661 ± 0.0003 Å
c	17.4884 ± 0.001 Å
α	90°
β	100.177 ± 0.005°
γ	90°
Cell volume	1129.4 ± 0.11 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	5
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	0.0625
Residual factor for significantly intense reflections	0.0516
Weighted residual factors for significantly intense reflections	0.1188
Weighted residual factors for all reflections included in the refinement	0.1271
Goodness-of-fit parameter for all reflections included in the refinement	1.032
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
244505 (current)	2019-11-28	cif/ Adding structures of 7239006, 7239007, 7239008, 7239009, 7239010, 7239011, 7239012 via cif-deposit CGI script.	7239009.cif