Crystallography Open Database

Information card for entry 7712742

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Coordinates	7712742.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H46 Cl5 N5 O4
Calculated formula	C24 H38 Cl5 N5 O4
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	7.688 ± 0.001 Å
b	13.744 ± 0.002 Å
c	15.732 ± 0.002 Å
α	80.34 ± 0.01°
β	79.66 ± 0.01°
γ	79.5 ± 0.01°
Cell volume	1592.2 ± 0.4 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	0.0791
Residual factor for significantly intense reflections	0.0523
Weighted residual factors for significantly intense reflections	0.1428
Weighted residual factors for all reflections included in the refinement	0.1594
Goodness-of-fit parameter for all reflections included in the refinement	1.068
Diffraction radiation wavelength	1.5418 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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