Crystallography Open Database

Information card for entry 7059915

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Coordinates	7059915.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C62 H98 N8 O10
Calculated formula	C62 H98 N8 O10
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	12.129 ± 0.0003 Å
b	14.2416 ± 0.0003 Å
c	38.0026 ± 0.001 Å
α	90°
β	90.258 ± 0.002°
γ	90°
Cell volume	6564.4 ± 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	0.1057
Residual factor for significantly intense reflections	0.0893
Weighted residual factors for significantly intense reflections	0.3183
Weighted residual factors for all reflections included in the refinement	0.3548
Goodness-of-fit parameter for all reflections included in the refinement	1.309
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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