Crystallography Open Database

Information card for entry 7160659

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Coordinates	7160659.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C236 H224 Cl4 N28 O40 Zn4
Calculated formula	C236 H224 Cl4 N28 O40 Zn4
Title of publication	Interplay between molecular recognition and acid-base reactivity in tailored metal-based calix[6]arene receptors.
Authors of publication	Lepeintre, Martin; Višnjevac, Aleksandar; Jabin, Ivan; Colasson, Benoit
Journal of publication	Organic & biomolecular chemistry
Year of publication	2025
Journal volume	23
Journal issue	35
Pages of publication	8012 - 8022
a	26.685 ± 0.005 Å
b	39.811 ± 0.008 Å
c	24.924 ± 0.005 Å
α	90°
β	90°
γ	90°
Cell volume	26478 ± 9 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	6
Space group number	68
Hermann-Mauguin space group symbol	C c c a :2
Hall space group symbol	-C 2a 2ac
Residual factor for all reflections	0.1194
Residual factor for significantly intense reflections	0.1025
Weighted residual factors for significantly intense reflections	0.3304
Weighted residual factors for all reflections included in the refinement	0.3577
Goodness-of-fit parameter for all reflections included in the refinement	1.452
Diffraction radiation wavelength	0.61994 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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