Crystallography Open Database

Information card for entry 7059916

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Coordinates	7059916.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H20 N6 O6
Calculated formula	C26 H20 N6 O6
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	25.2125 ± 0.0006 Å
b	8.18205 ± 0.00012 Å
c	47.2764 ± 0.0007 Å
α	90°
β	91.9897 ± 0.0017°
γ	90°
Cell volume	9746.8 ± 0.3 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	0.0923
Residual factor for significantly intense reflections	0.0839
Weighted residual factors for significantly intense reflections	0.2263
Weighted residual factors for all reflections included in the refinement	0.2327
Goodness-of-fit parameter for all reflections included in the refinement	1.064
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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