Crystallography Open Database

Information card for entry 4027510

Preview

Coordinates	4027510.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H33 N O2 Si
Calculated formula	C24 H33 N O2 Si
SMILES	C(/C=C\[C@@H]1[C@H](CCCN1)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)O
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	19.6136 ± 0.0012 Å
b	7.3535 ± 0.0004 Å
c	16.0097 ± 0.001 Å
α	90°
β	100.394 ± 0.004°
γ	90°
Cell volume	2271.2 ± 0.2 Å³
Cell temperature	90 ± 2 K
Ambient diffraction temperature	90 ± 2 K
Number of distinct elements	5
Space group number	5
Hermann-Mauguin space group symbol	C 1 2 1
Hall space group symbol	C 2y
Residual factor for all reflections	0.0401
Residual factor for significantly intense reflections	0.0347
Weighted residual factors for significantly intense reflections	0.0795
Weighted residual factors for all reflections included in the refinement	0.0828
Goodness-of-fit parameter for all reflections included in the refinement	1.034
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.	4027510.cif
81592	2013-04-15	cif/ Adding structures of 4027510 via cif-deposit CGI script.	4027510.cif