Crystallography Open Database

Information card for entry 7063462

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Coordinates	7063462.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H42 O6
Calculated formula	C34 H42 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	10.2098 ± 0.0003 Å
b	10.4124 ± 0.0003 Å
c	29.8234 ± 0.0009 Å
α	90°
β	90°
γ	90°
Cell volume	3170.48 ± 0.16 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	3
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.066
Residual factor for significantly intense reflections	0.0589
Weighted residual factors for significantly intense reflections	0.1726
Weighted residual factors for all reflections included in the refinement	0.1801
Goodness-of-fit parameter for all reflections included in the refinement	1.018
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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