Crystallography Open Database

Information card for entry 7057854

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Coordinates	7057854.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C43 H66 F I3 N8 O3
Calculated formula	C43 H66 F I3 N8 O3
Title of publication	Neutral host‒guest capsular associations by a homologous halophenyl-substituted organic tris-urea receptor series: solid and solution state studies
Authors of publication	Manna, Utsab; Das, Gopal
Journal of publication	New Journal of Chemistry
Year of publication	2018
Journal volume	42
Journal issue	23
Pages of publication	19164
a	9.2062 ± 0.0017 Å
b	23.534 ± 0.004 Å
c	25.684 ± 0.005 Å
α	113.443 ± 0.006°
β	90.877 ± 0.007°
γ	94.305 ± 0.006°
Cell volume	5084.7 ± 1.6 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1448
Residual factor for significantly intense reflections	0.0763
Weighted residual factors for significantly intense reflections	0.1973
Weighted residual factors for all reflections included in the refinement	0.2306
Goodness-of-fit parameter for all reflections included in the refinement	1.173
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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