Crystallography Open Database

Information card for entry 2023131

2023130 << 2023131 >> 2023132

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Coordinates	2023131.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	3,3'-[Ethane-1,2-diylbis(oxy)]bis(5,5-dimethylcyclohex-2-en-1-one)
Formula	C18 H26 O4
Calculated formula	C18 H26 O4
Title of publication	Crystal structure and Hirshfeld surface analysis of 3,3′-[ethane-1,2-diylbis(oxy)]bis(5,5-dimethylcyclohex-2-en-1-one) including an unknown solvate
Authors of publication	Sadikhova, Nurlana D.; Akkurt, Mehmet; Ismayilov, Valeh M.; Yusubov, Niftali N.; Hasanov, Khudayar I.; Bhattarai, Ajaya
Journal of publication	Acta Crystallographica Section E Crystallographic Communications
Year of publication	2024
Journal volume	80
Journal issue	6
a	16.9184 ± 0.0013 Å
b	6.523 ± 0.0005 Å
c	17.2645 ± 0.0011 Å
α	90°
β	111.822 ± 0.004°
γ	90°
Cell volume	1768.8 ± 0.2 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	3
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	0.0672
Residual factor for significantly intense reflections	0.0452
Weighted residual factors for significantly intense reflections	0.1066
Weighted residual factors for all reflections included in the refinement	0.118
Goodness-of-fit parameter for all reflections included in the refinement	1.036
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
291951 (current)	2024-05-18	cif/ Adding structures of 2023131 via cif-deposit CGI script.	2023131.cif