Crystallography Open Database

Information card for entry 4023138

Preview

Coordinates	4023138.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H18 N2
Calculated formula	C23 H18 N2
Title of publication	A Rational Protocol for the Synthesis of Arylated Bipyridine Ligands via a Cycloaddition Pathway
Authors of publication	Stéphane Diring; Pascal Retailleau; Raymond Ziessel
Journal of publication	Journal of Organic Chemistry
Year of publication	2007
Journal volume	72
Pages of publication	10181 - 10193
a	11.306 ± 0.001 Å
b	7.374 ± 0.001 Å
c	41.368 ± 0.005 Å
α	90°
β	92.87 ± 0.002°
γ	90°
Cell volume	3444.5 ± 0.7 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	3
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0813
Residual factor for significantly intense reflections	0.0459
Weighted residual factors for significantly intense reflections	0.1068
Weighted residual factors for all reflections included in the refinement	0.133
Goodness-of-fit parameter for all reflections included in the refinement	1.038
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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