Crystallography Open Database

Information card for entry 7059912

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Coordinates	7059912.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C58 H96 Br2 N6 O3
Calculated formula	C58 H96 Br2 N6 O3
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	16.5304 ± 0.0006 Å
b	18.1277 ± 0.0004 Å
c	19.8203 ± 0.0008 Å
α	90°
β	92.4926 ± 0.0014°
γ	90°
Cell volume	5933.7 ± 0.3 Å³
Cell temperature	170 ± 0.1 K
Ambient diffraction temperature	170 ± 0.1 K
Number of distinct elements	5
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	0.2217
Residual factor for significantly intense reflections	0.0892
Weighted residual factors for significantly intense reflections	0.2057
Weighted residual factors for all reflections included in the refinement	0.2792
Goodness-of-fit parameter for all reflections included in the refinement	1.019
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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