Crystallography Open Database

Information card for entry 7057855

Preview

Coordinates	7057855.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C43 H66 Cl3 F N8 O3
Calculated formula	C43 H66 Cl3 F 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	23.7562 ± 0.0016 Å
b	9.1238 ± 0.0003 Å
c	25.2435 ± 0.0016 Å
α	90°
β	116.95 ± 0.008°
γ	90°
Cell volume	4877.3 ± 0.6 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	6
Space group number	13
Hermann-Mauguin space group symbol	P 1 2/c 1
Hall space group symbol	-P 2yc
Residual factor for all reflections	0.1353
Residual factor for significantly intense reflections	0.0744
Weighted residual factors for significantly intense reflections	0.1854
Weighted residual factors for all reflections included in the refinement	0.2284
Goodness-of-fit parameter for all reflections included in the refinement	1.056
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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