Crystallography Open Database

Information card for entry 1505291

Preview

Coordinates	1505291.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H54 B2 F8 N6 O12
Calculated formula	C42 H54 B2 F8 N6 O12
Title of publication	New bis(benzimidazole) cations for threading through dibenzo-24-crown-8.
Authors of publication	Li, Liwei; Clarkson, Guy J.
Journal of publication	Organic letters
Year of publication	2007
Journal volume	9
Journal issue	3
Pages of publication	497 - 500
a	8.8787 ± 0.0016 Å
b	11.0339 ± 0.0013 Å
c	12.038 ± 0.002 Å
α	81.477 ± 0.012°
β	79.33 ± 0.015°
γ	77.735 ± 0.012°
Cell volume	1125.2 ± 0.3 Å³
Cell temperature	180 ± 2 K
Ambient diffraction temperature	180 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0889
Residual factor for significantly intense reflections	0.0594
Weighted residual factors for significantly intense reflections	0.1653
Weighted residual factors for all reflections included in the refinement	0.1736
Goodness-of-fit parameter for all reflections included in the refinement	1.023
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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