Crystallography Open Database

Information card for entry 7059910

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Structure parameters

Formula	C26 H22 N4 O2
Calculated formula	C26 H22 N4 O2
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	13.1438 ± 0.0002 Å
b	4.63066 ± 0.00007 Å
c	35.1361 ± 0.0007 Å
α	90°
β	99.9688 ± 0.0017°
γ	90°
Cell volume	2106.25 ± 0.06 Å³
Cell temperature	295 ± 1 K
Ambient diffraction temperature	295 ± 1 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0491
Residual factor for significantly intense reflections	0.0445
Weighted residual factors for significantly intense reflections	0.1253
Weighted residual factors for all reflections included in the refinement	0.1318
Goodness-of-fit parameter for all reflections included in the refinement	1.044
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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