Crystallography Open Database

Information card for entry 1516107

Preview

Coordinates	1516107.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H33 N O5 S Si
Calculated formula	C19 H33 N O5 S Si
Title of publication	Complete stereodivergence in the synthesis of 2-amino-1,3-diols from allenes
Authors of publication	Adams, Christopher S.; Grigg, R. David; Schomaker, Jennifer M.
Journal of publication	Chemical Science
Year of publication	2014
Journal volume	5
Journal issue	8
Pages of publication	3046
a	11.8101 ± 0.0017 Å
b	12.7217 ± 0.0017 Å
c	16.841 ± 0.002 Å
α	72.829 ± 0.006°
β	75.377 ± 0.007°
γ	75.493 ± 0.006°
Cell volume	2296.4 ± 0.5 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0433
Residual factor for significantly intense reflections	0.0367
Weighted residual factors for significantly intense reflections	0.0956
Weighted residual factors for all reflections included in the refinement	0.1006
Goodness-of-fit parameter for all reflections included in the refinement	1.022
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1516107.cif
119384	2014-07-07	cif/ Updating files of 1516107, 1516108, 1516109 Original log message: Adding full bibliography for 1516107--1516109.cif.	1516107.cif
113768	2014-05-14	cif/ Adding structures of 1516107, 1516108, 1516109 via cif-deposit CGI script.	1516107.cif