Crystallography Open Database

Information card for entry 4028005

Preview

Coordinates	4028005.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H20 N2 O
Calculated formula	C23 H20 N2 O
SMILES	COc1ccc(cc1)c1n(C)c(c(c2ccccc2)n1)c1ccccc1
Title of publication	Triarylimidazole Redox Catalysts: Electrochemical Analysis and Empirical Correlations
Authors of publication	Ni-tao Zhang; Cheng-chu Zeng; Chiu Marco Lam; Randi K. Gbur; R. Daniel Little
Journal of publication	Journal of Organic Chemistry
Year of publication	2013
Journal volume	78
Pages of publication	2104 - 2110
a	5.8187 ± 0.0008 Å
b	9.6719 ± 0.0013 Å
c	30.809 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	1733.9 ± 0.4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0451
Residual factor for significantly intense reflections	0.039
Weighted residual factors for significantly intense reflections	0.0895
Weighted residual factors for all reflections included in the refinement	0.0917
Goodness-of-fit parameter for all reflections included in the refinement	1.089
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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