Crystallography Open Database

Information card for entry 4031018

Preview

Coordinates	4031018.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C9 H15 N O2
Calculated formula	C9 H15 N O2
SMILES	N12C(=O)CCC[C@@H]1[C@@H](O)CCC2
Title of publication	Divergent Method to trans-5-Hydroxy-6-alkynyl/alkenyl-2-piperidinones: Syntheses of (-)-Epiquinamide and (+)-Swainsonine.
Authors of publication	Si, Chang-Mei; Mao, Zhuo-Ya; Dong, Han-Qing; Du, Zhen-Ting; Wei, Bang-Guo; Lin, Guo-Qiang
Journal of publication	The Journal of organic chemistry
Year of publication	2015
Journal volume	80
Journal issue	11
Pages of publication	5824 - 5833
a	5.5907 ± 0.0017 Å
b	13.518 ± 0.004 Å
c	5.7882 ± 0.0017 Å
α	90°
β	92.261 ± 0.007°
γ	90°
Cell volume	437.1 ± 0.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.0992
Residual factor for significantly intense reflections	0.0633
Weighted residual factors for significantly intense reflections	0.144
Weighted residual factors for all reflections included in the refinement	0.1634
Goodness-of-fit parameter for all reflections included in the refinement	1.039
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
154708 (current)	2015-09-06	cif/ Updating files of 4031018, 4031019 Original log message: Adding full bibliography for 4031018--4031019.cif.	4031018.cif
137159	2015-05-22	cif/ Adding structures of 4031018 via cif-deposit CGI script.	4031018.cif