Crystallography Open Database

Information card for entry 7155993

Preview

Coordinates	7155993.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H17 N O4
Calculated formula	C14 H17 N O4
SMILES	C1(=O)N(C[C@H]([C@H]2[C@@H]1O2)O)[C@H](c1ccc(OC)cc1)C
Title of publication	The direct and highly diastereoselective synthesis of 3,4-epoxy-2-piperidones. Application to the total synthesis and absolute configurational assignment of 3α,4α-epoxy-5β-pipermethystine.
Authors of publication	Osorio-Nieto, Urbano; Vázquez-Amaya, Laura Y; Höpfl, Herbert; Quintero, Leticia; Sartillo-Piscil, Fernando
Journal of publication	Organic & biomolecular chemistry
Year of publication	2017
Journal volume	16
Journal issue	1
Pages of publication	77 - 88
a	6.38939 ± 0.00011 Å
b	7.59037 ± 0.00013 Å
c	26.8562 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	1302.47 ± 0.04 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0308
Residual factor for significantly intense reflections	0.0304
Weighted residual factors for significantly intense reflections	0.078
Weighted residual factors for all reflections included in the refinement	0.0785
Goodness-of-fit parameter for all reflections included in the refinement	1.07
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
230638 (current)	2019-11-17	cif/ Updating files of 7155991, 7155992, 7155993 Original log message: Adding full bibliography for 7155991--7155993.cif.	7155993.cif
203440	2017-11-22	cif/ Adding structures of 7155991, 7155992, 7155993 via cif-deposit CGI script.	7155993.cif