Crystallography Open Database

Information card for entry 7248143

Preview

Coordinates	7248143.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C84 H8 F24 O2.21
Calculated formula	C84 H8 F24 O2.2067
Title of publication	Oxidative cage opening in the C<sub>70</sub> fullerene facilitated by preceding trifluoromethylation.
Authors of publication	Gracheva, Sofia V.; Tamm, Nadezhda B.; Lyssenko, Konstantin A.; Ioffe, Ilya N.; Lukonina, Natalia S.; Goryunkov, Alexey A.
Journal of publication	Physical chemistry chemical physics : PCCP
Year of publication	2024
Journal volume	26
Journal issue	10
Pages of publication	8038 - 8042
a	20.2976 ± 0.0007 Å
b	18.2848 ± 0.0007 Å
c	14.2099 ± 0.0005 Å
α	90°
β	99.129 ± 0.002°
γ	90°
Cell volume	5207 ± 0.3 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1694
Residual factor for significantly intense reflections	0.0823
Weighted residual factors for significantly intense reflections	0.1721
Weighted residual factors for all reflections included in the refinement	0.2057
Goodness-of-fit parameter for all reflections included in the refinement	1.033
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
291063 (current)	2024-04-05	cif/ Updating files of 7248142, 7248143 Original log message: Adding full bibliography for 7248142--7248143.cif.	7248143.cif
289826	2024-02-15	cif/ Adding structures of 7248142, 7248143 via cif-deposit CGI script.	7248143.cif