Crystallography Open Database

Information card for entry 7245687

Preview

Coordinates	7245687.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H18 N4
Calculated formula	C21 H18 N4
Title of publication	Condensation of acrylonitrile and aryl acetonitrile: construction of α-amino-β-cyano cyclohexene skeletons
Authors of publication	Zhang, Wei; Tang, Chuan-Su; Xiang, Shi-Qun
Journal of publication	RSC Advances
Year of publication	2022
Journal volume	12
Journal issue	46
Pages of publication	29840 - 29843
a	6.1541 ± 0.0002 Å
b	16.16 ± 0.0008 Å
c	18.3677 ± 0.0009 Å
α	68.234 ± 0.005°
β	89.533 ± 0.004°
γ	84.56 ± 0.004°
Cell volume	1688.08 ± 0.14 Å³
Cell temperature	150.15 K
Ambient diffraction temperature	150.15 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	0.0721
Residual factor for significantly intense reflections	0.0557
Weighted residual factors for significantly intense reflections	0.1422
Weighted residual factors for all reflections included in the refinement	0.1516
Goodness-of-fit parameter for all reflections included in the refinement	1.072
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
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/7245687.html