Crystallography Open Database

Information card for entry 7158007

Preview

Coordinates	7158007.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	conjugated triene
Formula	C20 H22 N2
Calculated formula	C20 H22 N2
Title of publication	Step-wise and one-pot synthesis of highly substituted conjugated trienes from 2-oxobenzo[<i>h</i>]chromenes/2<i>H</i>-pyran-2-ones.
Authors of publication	Elagamy, Amr; Althagafi, Ismail; Pratap, Ramendra
Journal of publication	Organic & biomolecular chemistry
Year of publication	2021
Journal volume	19
Journal issue	17
Pages of publication	3901 - 3910
a	6.251 ± 0.0002 Å
b	18.8202 ± 0.0006 Å
c	14.227 ± 0.0005 Å
α	90°
β	98.706 ± 0.003°
γ	90°
Cell volume	1654.45 ± 0.1 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	3
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.0836
Residual factor for significantly intense reflections	0.0761
Weighted residual factors for significantly intense reflections	0.2068
Weighted residual factors for all reflections included in the refinement	0.2139
Goodness-of-fit parameter for all reflections included in the refinement	1.082
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
266152 (current)	2021-06-05	cif/ Updating files of 7158006, 7158007 Original log message: Adding full bibliography for 7158006--7158007.cif.	7158007.cif
263544	2021-04-02	cif/ Adding structures of 7158006, 7158007 via cif-deposit CGI script.	7158007.cif