Crystallography Open Database

Information card for entry 7157950

Preview

Coordinates	7157950.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H22 N2
Calculated formula	C26 H22 N2
Title of publication	Base mediated synthesis of functionalized 2-(alkynyl)arylnitriles and their molecular docking study with aromatase receptor.
Authors of publication	Shah, Chandan; Yadav, Pratik; Althagafi, Ismail; Nemaysh, Vishal; Shaw, Ranjay; Elagamy, Amr; Pratap, Ramendra
Journal of publication	Organic & biomolecular chemistry
Year of publication	2021
Journal volume	19
Journal issue	15
Pages of publication	3462 - 3468
a	9.9245 ± 0.0014 Å
b	10.0171 ± 0.0014 Å
c	20.572 ± 0.003 Å
α	90°
β	93.914 ± 0.013°
γ	90°
Cell volume	2040.4 ± 0.5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 K
Number of distinct elements	3
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.2237
Residual factor for significantly intense reflections	0.0891
Weighted residual factors for significantly intense reflections	0.1858
Weighted residual factors for all reflections included in the refinement	0.2684
Goodness-of-fit parameter for all reflections included in the refinement	0.8972
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/7157950.html