Crystallography Open Database

Information card for entry 4503400

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Coordinates	4503400.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H20 N2
Calculated formula	C17 H20 N2
Title of publication	Copper(I) Bromide-Mediated Coupling of Imidazoles. Trapping and X-Ray Crystal Structures of the Reaction Intermediates
Authors of publication	Huang, Xue-Feng; Fu, Da-Wei; Xiong, Ren-Gen
Journal of publication	Crystal Growth & Design
Year of publication	2008
Journal volume	8
Journal issue	6
Pages of publication	1795
a	9.9847 ± 0.0008 Å
b	9.9847 ± 0.0008 Å
c	61.68 ± 0.008 Å
α	90°
β	90°
γ	90°
Cell volume	6149.1 ± 1.1 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273 ± 2 K
Number of distinct elements	3
Space group number	88
Hermann-Mauguin space group symbol	I 41/a :2
Hall space group symbol	-I 4ad
Residual factor for all reflections	0.0895
Residual factor for significantly intense reflections	0.0511
Weighted residual factors for significantly intense reflections	0.1028
Weighted residual factors for all reflections included in the refinement	0.1071
Goodness-of-fit parameter for all reflections included in the refinement	1.093
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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