Crystallography Open Database

Information card for entry 7059914

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Coordinates	7059914.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C58 H94 N8 O8
Calculated formula	C58 H94 N8 O8
Title of publication	Anion binding with biphenyl-bis-urea derivatives: solution and solid-state studies
Authors of publication	Grgurić, Toni; Cetina, Mario; Petroselli, Manuel; Bacchiocchi, Corrado; Dzolić, Zoran; Cametti, Massimo
Journal of publication	New Journal of Chemistry
Year of publication	2020
Journal volume	44
Journal issue	38
Pages of publication	16294 - 16301
a	15.0086 ± 0.0013 Å
b	9.8413 ± 0.0005 Å
c	20.6682 ± 0.0016 Å
α	90°
β	99.841 ± 0.008°
γ	90°
Cell volume	3007.9 ± 0.4 Å³
Cell temperature	295 ± 1 K
Ambient diffraction temperature	295 ± 1 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1354
Residual factor for significantly intense reflections	0.0777
Weighted residual factors for significantly intense reflections	0.2218
Weighted residual factors for all reflections included in the refinement	0.2708
Goodness-of-fit parameter for all reflections included in the refinement	1.027
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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