Crystallography Open Database

Information card for entry 7228198

Preview

Coordinates	7228198.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C11 H10 N O
Calculated formula	C12 H11 N O2
SMILES	O1C(=O)c2c3n(cccc3)cc2C1(C)C
Title of publication	Synthesis of fused tricyclic indolizines by intramolecular silver-mediated double cyclization of 2-(pyridin-2-yl)acetic acid propargyl esters
Authors of publication	Zhao, Hai-Yuan; Wang, Ying-chun; Cao, Xiao-Lin; Pang, Qiu-Fang; Wang, Heng-shan; Pan, Ying-ming
Journal of publication	RSC Adv.
Year of publication	2017
Journal volume	7
Journal issue	39
Pages of publication	24011
a	8.0248 ± 0.0007 Å
b	12.175 ± 0.0012 Å
c	10.5501 ± 0.0012 Å
α	90°
β	100.48 ± 0.009°
γ	90°
Cell volume	1013.57 ± 0.18 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	0.0516
Residual factor for significantly intense reflections	0.0436
Weighted residual factors for significantly intense reflections	0.108
Weighted residual factors for all reflections included in the refinement	0.1156
Goodness-of-fit parameter for all reflections included in the refinement	1.078
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
196229 (current)	2017-05-05	cif/ Adding structures of 7228198 via cif-deposit CGI script.	7228198.cif