Crystallography Open Database

Information card for entry 1540708

Preview

Coordinates	1540708.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H38 Cs3 O6
Calculated formula	C32 H38 Cs3 O6
Title of publication	Supramolecular trap for a transient corannulene trianion
Authors of publication	Zabula, Alexander V.; Spisak, Sarah N.; Filatov, Alexander S.; Rogachev, Andrey Yu.; Clérac, Rodolphe; Petrukhina, Marina A.
Journal of publication	Chem. Sci.
Year of publication	2016
Journal volume	7
Journal issue	3
Pages of publication	1954
a	23.597 ± 0.003 Å
b	14.073 ± 0.002 Å
c	19.874 ± 0.003 Å
α	90°
β	93.283 ± 0.002°
γ	90°
Cell volume	6588.9 ± 1.6 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 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	0.0598
Residual factor for significantly intense reflections	0.0449
Weighted residual factors for significantly intense reflections	0.0978
Weighted residual factors for all reflections included in the refinement	0.1052
Goodness-of-fit parameter for all reflections included in the refinement	1.09
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	Mo-Kα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
177723 (current)	2016-03-05	cif/ Updating files of 1540708 Original log message: Adding full bibliography for 1540708.cif.	1540708.cif
171584	2015-12-18	cif/ Adding structures of 1540708 via cif-deposit CGI script.	1540708.cif