Crystallography Open Database

Information card for entry 7156267

Preview

Coordinates	7156267.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H19 N O2
Calculated formula	C18 H19 N O2
Title of publication	The synthesis of multi-substituted pyrrolidinones via a direct [3 + 2] cycloaddition of azaoxyallyl cations with aromatic ethylenes.
Authors of publication	Zhang, Yixin; Ma, Haojie; Liu, Xingxing; Cui, Xinfeng; Wang, Shaohua; Zhan, Zhenzhen; Pu, Jinghong; Huang, Guosheng
Journal of publication	Organic & biomolecular chemistry
Year of publication	2018
Journal volume	16
Journal issue	24
Pages of publication	4439 - 4442
a	5.4408 ± 0.0004 Å
b	10.1935 ± 0.0009 Å
c	27.458 ± 0.002 Å
α	90°
β	91.789 ± 0.008°
γ	90°
Cell volume	1522.1 ± 0.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 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	0.1325
Residual factor for significantly intense reflections	0.0649
Weighted residual factors for significantly intense reflections	0.1389
Weighted residual factors for all reflections included in the refinement	0.1798
Goodness-of-fit parameter for all reflections included in the refinement	1.028
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
230583 (current)	2019-11-17	cif/ Updating files of 7156267 Original log message: Adding full bibliography for 7156267.cif.	7156267.cif
207982	2018-05-25	cif/ Adding structures of 7156267 via cif-deposit CGI script.	7156267.cif