Crystallography Open Database

Information card for entry 1544264

Preview

Coordinates	1544264.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H23 N O5
Calculated formula	C21 H23 N O5
SMILES	O(c1ccc(C2CC(Nc3ccc(cc23)C)(C(=O)OC)C(=O)OC)cc1)C
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	9.996 ± 0.003 Å
b	10.556 ± 0.002 Å
c	11.033 ± 0.002 Å
α	69.226 ± 0.019°
β	73.09 ± 0.02°
γ	65.04 ± 0.02°
Cell volume	973 ± 0.4 Å³
Cell temperature	295.37 ± 0.1 K
Ambient diffraction temperature	295.37 ± 0.1 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1119
Residual factor for significantly intense reflections	0.0615
Weighted residual factors for significantly intense reflections	0.1333
Weighted residual factors for all reflections included in the refinement	0.1749
Goodness-of-fit parameter for all reflections included in the refinement	1.049
Diffraction radiation probe	x-ray
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
187963 (current)	2016-11-06	cif/ Updating files of 1544264, 1544265 Original log message: Adding full bibliography for 1544264--1544265.cif.	1544264.cif
187240	2016-10-11	cif/ Adding structures of 1544264 via cif-deposit CGI script.	1544264.cif