Crystallography Open Database

Information card for entry 7156023

Preview

Coordinates	7156023.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	vbchem162_0m_a
Formula	C18 H16 N2 O3
Calculated formula	C18 H16 N2 O3
SMILES	O(c1n2c(nc1c1ccccc1)c(ccc2)C)/C=C\C(=O)OC
Title of publication	A convergent synthesis of vinyloxyimidazopyridine via Cu(i)-catalyzed three-component coupling.
Authors of publication	Samanta, Sadhanendu; Mondal, Susmita; Hajra, Alakananda
Journal of publication	Organic & biomolecular chemistry
Year of publication	2018
Journal volume	16
Journal issue	7
Pages of publication	1088 - 1092
a	8.2376 ± 0.0004 Å
b	8.7359 ± 0.0004 Å
c	11.8649 ± 0.0006 Å
α	98.745 ± 0.002°
β	102.654 ± 0.002°
γ	102.432 ± 0.002°
Cell volume	795.58 ± 0.07 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 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	0.0913
Residual factor for significantly intense reflections	0.067
Weighted residual factors for significantly intense reflections	0.1789
Weighted residual factors for all reflections included in the refinement	0.2103
Goodness-of-fit parameter for all reflections included in the refinement	1.158
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
230794 (current)	2019-11-17	cif/ Updating files of 7156023, 7156024 Original log message: Adding full bibliography for 7156023--7156024.cif.	7156023.cif
204068	2017-12-08	cif/ Adding structures of 7156023 via cif-deposit CGI script.	7156023.cif