Crystallography Open Database

Information card for entry 7153541

Preview

Coordinates	7153541.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H70 F12 N8 O12 P2
Calculated formula	C44 H70 F12 N8 O12 P2
Title of publication	Supramolecular aggregates between carboxylate anions and an octaaza macrocyclic receptor
Authors of publication	Cruz, Carla; Delgado, Rita; Drew, Michael G. B.; F�lix, V�tor
Journal of publication	Organic & Biomolecular Chemistry
Year of publication	2004
Journal volume	2
Journal issue	20
Pages of publication	2911 - 2918
a	10.818 ± 0.011 Å
b	11.701 ± 0.013 Å
c	12.827 ± 0.013 Å
α	105.1 ± 0.1°
β	101.25 ± 0.1°
γ	115.44 ± 0.1°
Cell volume	1325 ± 3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.1278
Residual factor for significantly intense reflections	0.1101
Weighted residual factors for significantly intense reflections	0.2736
Weighted residual factors for all reflections included in the refinement	0.2874
Goodness-of-fit parameter for all reflections included in the refinement	1.055
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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