Crystallography Open Database

Information card for entry 4037282

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Coordinates	4037282.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H32 N6
Calculated formula	C34 H32 N6
Title of publication	Cu(II)-Catalyzed Oxidative Formation of 5,5'-Bistriazoles.
Authors of publication	Brassard, Christopher J.; Zhang, Xiaoguang; Brewer, Christopher R.; Liu, Peiye; Clark, Ronald J.; Zhu, Lei
Journal of publication	The Journal of organic chemistry
Year of publication	2016
Journal volume	81
Journal issue	24
Pages of publication	12091 - 12105
a	9.0751 ± 0.0002 Å
b	9.0751 ± 0.0002 Å
c	34.9812 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	2880.96 ± 0.1 Å³
Cell temperature	203 ± 2 K
Ambient diffraction temperature	203 ± 2 K
Number of distinct elements	3
Space group number	92
Hermann-Mauguin space group symbol	P 41 21 2
Hall space group symbol	P 4abw 2nw
Residual factor for all reflections	0.0507
Residual factor for significantly intense reflections	0.0398
Weighted residual factors for significantly intense reflections	0.1018
Weighted residual factors for all reflections included in the refinement	0.1096
Goodness-of-fit parameter for all reflections included in the refinement	1.011
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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