Crystallography Open Database

Information card for entry 7064164

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Coordinates	7064164.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C74 H70 K2 O4
Calculated formula	C74 H70 K2 O4
Title of publication	Synthesis, Structural and Photophysical Studies of Mono-and Dinuclear Alkali Metal 2,6-dibenzhydryl-4-methylphenolates
Authors of publication	Bardonov, Daniil; Nasyrova, Darina; Metlin, Mikhail T.; Minyaev, Mikhail E.; Taydakov, Ilya V.; Roitershtein, Dmitrii M.
Journal of publication	New Journal of Chemistry
Year of publication	2026
a	12.2267 ± 0.0001 Å
b	14.8345 ± 0.0001 Å
c	17.1733 ± 0.0001 Å
α	90°
β	106.337 ± 0.001°
γ	90°
Cell volume	2989.08 ± 0.04 Å³
Cell temperature	99.97 ± 0.18 K
Ambient diffraction temperature	99.97 ± 0.18 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	0.0365
Residual factor for significantly intense reflections	0.0357
Weighted residual factors for significantly intense reflections	0.0937
Weighted residual factors for all reflections included in the refinement	0.0943
Goodness-of-fit parameter for all reflections included in the refinement	1.086
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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