Crystallography Open Database

Information card for entry 7712745

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Coordinates	7712745.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H62 N5 O32 P7
Calculated formula	C24 H38 N5 O32 P7
Title of publication	Inorganic Anion Recognition in Aqueous Solution by Coupling Nearby Highly Hydrophilic and Hydrophobic Moieties in a Macrocyclic Receptor
Authors of publication	Bencini, Andrea; Romano, Giammarco Maria; Savastano, Matteo; Bazzicalupi, Carla; Lippolis, Vito; Chelli, Riccardo
Journal of publication	Dalton Transactions
Year of publication	2023
a	11.961 ± 0.002 Å
b	13.583 ± 0.002 Å
c	15.357 ± 0.002 Å
α	85.66 ± 0.01°
β	75.95 ± 0.01°
γ	69.72 ± 0.01°
Cell volume	2270.2 ± 0.6 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 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	0.1488
Residual factor for significantly intense reflections	0.0739
Weighted residual factors for significantly intense reflections	0.1748
Weighted residual factors for all reflections included in the refinement	0.1945
Goodness-of-fit parameter for all reflections included in the refinement	0.984
Diffraction radiation wavelength	1.5418 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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