Crystallography Open Database

Information card for entry 4027509

Preview

Coordinates	4027509.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H30 O3 Si
Calculated formula	C21 H30 O3 Si
SMILES	[Si](O[C@H](CO)CCCO)(c1ccccc1)(c1ccccc1)C(C)(C)C
Title of publication	A Divergent Approach to 3-Piperidinols: A Concise Syntheses of (+)-Swainsonine and Access to the 1-Substituted Quinolizidine Skeleton
Authors of publication	Glenn Archibald; Chih-Pei Lin; Peter Boyd; David Barker; Vittorio Caprio
Journal of publication	Journal of Organic Chemistry
Year of publication	2012
Journal volume	77
Pages of publication	7968 - 7980
a	10.656 ± 0.0002 Å
b	8.0887 ± 0.0001 Å
c	12.7562 ± 0.0003 Å
α	90°
β	105.223 ± 0.001°
γ	90°
Cell volume	1060.92 ± 0.03 Å³
Cell temperature	93 ± 2 K
Ambient diffraction temperature	93 ± 2 K
Number of distinct elements	4
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0406
Residual factor for significantly intense reflections	0.0371
Weighted residual factors for significantly intense reflections	0.0895
Weighted residual factors for all reflections included in the refinement	0.0923
Goodness-of-fit parameter for all reflections included in the refinement	1.03
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
178454 (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 4/02/75.	4027509.cif
81591	2013-04-15	cif/ Adding structures of 4027509 via cif-deposit CGI script.	4027509.cif