Crystallography Open Database

Information card for entry 7063463

Preview

Coordinates	7063463.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H44 O6
Calculated formula	C38 H44 O6
Title of publication	A family of dioxyarylene linked di-o-quinones. Structural dependence on the topology of the linker: a comparative study
Authors of publication	Cherkasova, Anna V.; Martyanov, Konstantin A.; Rychagova, Elena A.; Kozhanov, Konstantin A.; Cherkasov, Anton V.; Kuropatov, Viacheslav A.
Journal of publication	New Journal of Chemistry
Year of publication	2024
Journal volume	48
Journal issue	42
Pages of publication	18075 - 18087
a	11.8467 ± 0.001 Å
b	25.0666 ± 0.0013 Å
c	12.2051 ± 0.0009 Å
α	90°
β	113.534 ± 0.009°
γ	90°
Cell volume	3322.9 ± 0.5 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	3
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	0.1126
Residual factor for significantly intense reflections	0.0759
Weighted residual factors for significantly intense reflections	0.1687
Weighted residual factors for all reflections included in the refinement	0.1884
Goodness-of-fit parameter for all reflections included in the refinement	1.069
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
296634 (current)	2024-12-06	cif/ Updating files of 7063461, 7063462, 7063463 Original log message: Adding full bibliography for 7063461--7063463.cif.	7063463.cif
294994	2024-10-03	cif/ Adding structures of 7063461, 7063462, 7063463 via cif-deposit CGI script.	7063463.cif