Crystallography Open Database

Information card for entry 7058451

Preview

Coordinates	7058451.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H14 N2 O3
Calculated formula	C16 H14 N2 O3
Title of publication	Enantioselective vinylogous Michael addition of β,γ-unsaturated butenolide to 2-iminochromenes
Authors of publication	Gupta, Vijay; Singh, Ravi P.
Journal of publication	New Journal of Chemistry
Year of publication	2019
Journal volume	43
Journal issue	25
Pages of publication	9771
a	6.158 ± 0.005 Å
b	7.899 ± 0.006 Å
c	14.325 ± 0.01 Å
α	79.963 ± 0.015°
β	87.426 ± 0.016°
γ	86.68 ± 0.02°
Cell volume	684.6 ± 0.9 Å³
Cell temperature	305 ± 2 K
Ambient diffraction temperature	305 ± 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	0.1088
Residual factor for significantly intense reflections	0.0638
Weighted residual factors for significantly intense reflections	0.1616
Weighted residual factors for all reflections included in the refinement	0.1934
Goodness-of-fit parameter for all reflections included in the refinement	0.83
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7058451.html