Crystallography Open Database

Information card for entry 1516755

Preview

Coordinates	1516755.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29 H45 N O4 Si
Calculated formula	C29 H45 N O4 Si
SMILES	[Si](OC/C=C/[C@H]1N2[C@@H]3[C@H](O[C@@H]2C[C@@H](C1)C(=O)OCC)Cc1c3c(C(C)C)ccc1)(C)(C)C(C)(C)C
Title of publication	Synthesis of 2,4,6-trisubstituted chiral piperidines and (-)-dendroprimine by one-pot asymmetric azaelectrocyclization protocol.
Authors of publication	Kobayashi, Toyoharu; Hasegawa, Futoshi; Tanaka, Katsunori; Katsumura, Shigeo
Journal of publication	Organic letters
Year of publication	2006
Journal volume	8
Journal issue	17
Pages of publication	3813 - 3816
a	15.255 ± 0.003 Å
b	10.757 ± 0.003 Å
c	9.418 ± 0.002 Å
α	90°
β	101.43 ± 0.02°
γ	90°
Cell volume	1514.8 ± 0.6 Å³
Cell temperature	298 K
Number of distinct elements	5
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.147
Residual factor for significantly intense reflections	0.143
Weighted residual factors for all reflections	0.273
Weighted residual factors for significantly intense reflections	0.273
Weighted residual factors for all reflections included in the refinement	0.273
Goodness-of-fit parameter for all reflections	27.826
Goodness-of-fit parameter for significantly intense reflections	10.58
Goodness-of-fit parameter for all reflections included in the refinement	10.58
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176435 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries from ranges 1, 2.	1516755.cif
118782	2014-06-30	cif/ Adding structures of 1516755 via cif-deposit CGI script.	1516755.cif