Information card for entry 2023131

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 ų
• 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 Fobs: No