Crystallography Open Database

Information card for entry 7150678

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Coordinates	7150678.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C64 H92 Br4 N10 O7
Calculated formula	C64 H92 Br4 N10 O7
Title of publication	Allosteric effects in a tetrapodal imidazolium-derived calix[4]arene anion receptor
Authors of publication	Willans, Charlotte E.; Anderson, Kirsty M.; Potts, Lydia C.; Steed, Jonathan W.
Journal of publication	Organic & Biomolecular Chemistry
Year of publication	2009
Journal volume	7
Journal issue	13
Pages of publication	2756 - 2760
a	12.7428 ± 0.0004 Å
b	17.2842 ± 0.0006 Å
c	18.132 ± 0.0006 Å
α	117.951 ± 0.001°
β	97.062 ± 0.001°
γ	99.851 ± 0.001°
Cell volume	3379.7 ± 0.2 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0606
Residual factor for significantly intense reflections	0.038
Weighted residual factors for significantly intense reflections	0.0913
Weighted residual factors for all reflections included in the refinement	0.0999
Goodness-of-fit parameter for all reflections included in the refinement	1.032
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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