Crystallography Open Database

Information card for entry 4026965

Preview

Coordinates	4026965.cif
Structure factors	4026965.hkl
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	Stereocontrolled Synthesis of Substituted Chiral Piperidines via One-Pot Asymmetric 6π-Azaelectrocyclization: Asymmetric Syntheses of (-)-Dendroprimine, (+)-7-Epidendroprimine, (+)-5-Epidendroprimine, and (+)-5,7-Epidendroprimine
Authors of publication	Toyoharu Kobayashi; Futoshi Hasegawa; Yoshikatsu Hirose; Katsunori Tanaka; Hajime Mori; Shigeo Katsumura
Journal of publication	Journal of Organic Chemistry
Year of publication	2012
Journal volume	77
Pages of publication	1812 - 1832
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	Yes

Version history

Revision	Date	Message	Files
181926 (current)	2016-04-07	hkl/4/ (antanas@echidna.ibt.lt) Adding svn headers to multiple entries in subrange 4/02.	4026965.cif 4026965.hkl
180708	2016-04-02	hkl/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4026965.cif 4026965.hkl
176467	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4026965.cif 4026965.hkl
81064	2013-04-13	cif/ hkl/ Updating files of 4026965 Original log message: Adding Fobs data.	4026965.cif 4026965.hkl
81030	2013-04-13	cif/ Adding structures of 4026965 via cif-deposit CGI script.	4026965.cif