Crystallography Open Database

Information card for entry 7051969

7051968 << 7051969 >> 7051970

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Coordinates	7051969.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C56 H68 N4 O8
Calculated formula	C56 H68 N4 O8
Title of publication	Systematic approach to new ligands for anion recognition based on ureido-calix[4]arenes
Authors of publication	Stibor, Ivan; Budka, Jan; Michlová, Veronika; Tkadlecová, Marcela; Pojarová, Michaela; Cuřínová, Petra; Lhoták, Pavel
Journal of publication	New Journal of Chemistry
Year of publication	2008
Journal volume	32
Journal issue	9
Pages of publication	1597
a	15.289 ± 0.0002 Å
b	17.458 ± 0.0002 Å
c	18.783 ± 0.0002 Å
α	90°
β	90°
γ	90°
Cell volume	5013.47 ± 0.1 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	4
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0449
Residual factor for significantly intense reflections	0.0397
Weighted residual factors for all reflections	0.0524
Weighted residual factors for significantly intense reflections	0.0474
Weighted residual factors for all reflections included in the refinement	0.0474
Goodness-of-fit parameter for all reflections included in the refinement	1.0463
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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