Crystallography Open Database

Information card for entry 7239012

Preview

Coordinates	7239012.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	N,N-Dimethyl-O-((N',N'-di-Boc)-2-aminopropyl) thionocarbamate compound 37
Formula	C16 H30 N2 O5 S
Calculated formula	C16 H30 N2 O5 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	5.9611 ± 0.0002 Å
b	19.2487 ± 0.0006 Å
c	17.6222 ± 0.0005 Å
α	90°
β	94.909 ± 0.003°
γ	90°
Cell volume	2014.61 ± 0.11 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 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	0.0562
Residual factor for significantly intense reflections	0.0398
Weighted residual factors for significantly intense reflections	0.1018
Weighted residual factors for all reflections included in the refinement	0.1058
Goodness-of-fit parameter for all reflections included in the refinement	1.058
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.	7239012.cif