Crystallography Open Database

Information card for entry 7105436

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Coordinates	7105436.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Ammie
Formula	C66 H92 Br N6 Na O25
Calculated formula	C66 H66 Br N6 Na0.99 O25.01
Title of publication	A water soluble, anion-binding zwitterionic capsule based on electrostatic interactions between self-complementary hemispheres.
Authors of publication	Cresswell, Ammie L; Piepenbrock, Marc-Oliver M; Steed, Jonathan W
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2010
Journal volume	46
Journal issue	16
Pages of publication	2787 - 2789
a	17.636 ± 0.003 Å
b	17.636 ± 0.003 Å
c	20.817 ± 0.004 Å
α	90°
β	90°
γ	120°
Cell volume	5607.2 ± 1.7 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	6
Space group number	146
Hermann-Mauguin space group symbol	R 3 :H
Hall space group symbol	R 3
Residual factor for all reflections	0.0701
Residual factor for significantly intense reflections	0.0506
Weighted residual factors for significantly intense reflections	0.1246
Weighted residual factors for all reflections included in the refinement	0.1351
Goodness-of-fit parameter for all reflections included in the refinement	1.004
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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