Crystallography Open Database

Information card for entry 7057851

Preview

Coordinates	7057851.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C55 H60 I6 N14 O11
Calculated formula	C55 H60 I6 N14 O11
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	17.7358 ± 0.0005 Å
b	20.8986 ± 0.0009 Å
c	23.8529 ± 0.0009 Å
α	90°
β	99.333 ± 0.003°
γ	90°
Cell volume	8724.1 ± 0.6 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	5
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	0.0983
Residual factor for significantly intense reflections	0.0582
Weighted residual factors for significantly intense reflections	0.1853
Weighted residual factors for all reflections included in the refinement	0.2093
Goodness-of-fit parameter for all reflections included in the refinement	1.039
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7057851.html