Crystallography Open Database

Information card for entry 1544265

Preview

Coordinates	1544265.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H21 N O4
Calculated formula	C20 H21 N O4
SMILES	O=C(OC)C1(N(c2ccc(cc2)C)C(c2ccccc2)C1)C(=O)OC
Title of publication	Lewis Acid and (Hypo)iodite Relay Catalysis Allows a Strategy for the Synthesis of Polysubstituted Azetidines and Tetrahydroquinolines.
Authors of publication	Han, Jing-Qiang; Zhang, Huan-Huan; Xu, Peng-Fei; Luo, Yong-Chun
Journal of publication	Organic letters
Year of publication	2016
Journal volume	18
Journal issue	20
Pages of publication	5212
a	9.7358 ± 0.0003 Å
b	9.6518 ± 0.0002 Å
c	19.991 ± 0.0005 Å
α	90°
β	98.694 ± 0.003°
γ	90°
Cell volume	1856.93 ± 0.08 Å³
Cell temperature	291.48 ± 0.1 K
Ambient diffraction temperature	291.48 ± 0.1 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.049
Residual factor for significantly intense reflections	0.0422
Weighted residual factors for significantly intense reflections	0.1151
Weighted residual factors for all reflections included in the refinement	0.1224
Goodness-of-fit parameter for all reflections included in the refinement	1.025
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
187963 (current)	2016-11-06	cif/ Updating files of 1544264, 1544265 Original log message: Adding full bibliography for 1544264--1544265.cif.	1544265.cif
187241	2016-10-11	cif/ Adding structures of 1544265 via cif-deposit CGI script.	1544265.cif