Crystallography Open Database

Information card for entry 1505290

Preview

Coordinates	1505290.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H54 F12 N6 O12 P2
Calculated formula	C42 H54 F12 N6 O12 P2
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	11.863 ± 0.011 Å
b	14.597 ± 0.013 Å
c	14.378 ± 0.013 Å
α	90°
β	90.232 ± 0.016°
γ	90°
Cell volume	2490 ± 4 Å³
Cell temperature	180 ± 2 K
Ambient diffraction temperature	180 ± 2 K
Number of distinct elements	6
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	0.1089
Residual factor for significantly intense reflections	0.0669
Weighted residual factors for significantly intense reflections	0.1677
Weighted residual factors for all reflections included in the refinement	0.1906
Goodness-of-fit parameter for all reflections included in the refinement	1.028
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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