Crystallography Open Database

Information card for entry 4026570

Preview

Coordinates	4026570.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H17 N O2 S
Calculated formula	C19 H17 N O2 S
Title of publication	Synthesis of Enantiomerically Enriched Amino Sulfide Building Blocks from Acyclic Chiral Amino Allylsilanes
Authors of publication	Gianna Reginato; Bernardo Pezzati; Andrea Ienco; Gabriele Manca; Andrea Rossin; Alessandro Mordini
Journal of publication	Journal of Organic Chemistry
Year of publication	2011
Journal volume	76
Pages of publication	7415 - 7422
a	13.188 ± 0.0015 Å
b	8.071 ± 0.0007 Å
c	16.17 ± 0.002 Å
α	90°
β	95.472 ± 0.01°
γ	90°
Cell volume	1713.3 ± 0.3 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1106
Residual factor for significantly intense reflections	0.0516
Weighted residual factors for significantly intense reflections	0.1487
Weighted residual factors for all reflections included in the refinement	0.1718
Goodness-of-fit parameter for all reflections included in the refinement	0.867
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
178444 (current)	2016-03-21	cif/4/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/02/65.	4026570.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4026570.cif
39671	2012-03-07	../uploads/cif-deposit/cod/cif Adding structures of 4026570 via cif-deposit CGI script.	4026570.cif