Crystallography Open Database

Information card for entry 4080928

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Structure parameters

Chemical name	coronene-(18-crown-6-ether)-rubidium)
Formula	C36 H36 O6 Rb
Calculated formula	C36 H36 O6 Rb
Title of publication	Tuning Binding of Rubidium Ions to Planar and Curved Negatively Charged π Surfaces
Authors of publication	Spisak, Sarah N.; Sumner, Natalie J.; Zabula, Alexander V.; Filatov, Alexander S.; Rogachev, Andrey Yu.; Petrukhina, Marina A.
Journal of publication	Organometallics
Year of publication	2013
Journal volume	32
Journal issue	14
Pages of publication	3773
a	19.74 ± 0.008 Å
b	8.213 ± 0.003 Å
c	20.445 ± 0.011 Å
α	90°
β	118.73 ± 0.004°
γ	90°
Cell volume	2907 ± 2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.1219
Residual factor for significantly intense reflections	0.0953
Weighted residual factors for significantly intense reflections	0.2258
Weighted residual factors for all reflections included in the refinement	0.2392
Goodness-of-fit parameter for all reflections included in the refinement	1.016
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	Mo-Kα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
301831 (current)	2025-08-20	Add cross-references to PubChem compounds in COD range 4/08/ Each referenced PubChem compound corresponds to the full crystal structure.	4080928.cif
176432	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	4080928.cif
87952	2013-08-27	cif/ Adding structures of 4080926, 4080927, 4080928 via cif-deposit CGI script.	4080928.cif