Crystallography Open Database

Information card for entry 7052271

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Coordinates	7052271.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H41 Br3 N6 O4
Calculated formula	C30 H41 Br3 N6 O3.99999
Title of publication	Conformational effects in molecular tectons containing protonated benzimidazole cations
Authors of publication	Anita Kübel-Pollak; Craig J. Matthews; Simon Verdan; Bernard Bocquet; Xavier Melich; Alan F. Williams; Francine Lavergnat; Pierre-Yves Morgantini; Gérald Bernardinelli
Journal of publication	New Journal of Chemistry
Year of publication	2006
Journal volume	30
Journal issue	6
Pages of publication	851
a	16.6939 ± 0.0009 Å
b	16.6939 ± 0.0009 Å
c	20.5208 ± 0.0011 Å
α	90°
β	90°
γ	120°
Cell volume	4952.7 ± 0.5 Å³
Cell temperature	200 K
Number of distinct elements	5
Space group number	148
Hermann-Mauguin space group symbol	R -3 :H
Hall space group symbol	-R 3
Residual factor for significantly intense reflections	0.028
Weighted residual factors for all reflections included in the refinement	0.028
Goodness-of-fit parameter for all reflections included in the refinement	1.12
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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