Information card for entry 7206703

Structure parameters

• Formula: C25 H24 O4
• Calculated formula: C25 H24 O4
• SMILES: O(c1c(C(=O)C)c(OCc2ccccc2)cc(c1C(=O)C)C)Cc1ccccc1
• Title of publication: Insight into supramolecular self-assembly directed by weak interactions in acetophenone derivatives: crystal structures and Hirshfeld surface analyses
• Authors of publication: Seth, Saikat Kumar; Sarkar, Debayan; Roy, Amalesh; Kar, Tanusree
• Journal of publication: CrystEngComm
• Year of publication: 2011
• Journal volume: 13
• Journal issue: 22
• Pages of publication: 6728
• a: 31.128 ± 0.006 Å
• b: 8.2169 ± 0.0016 Å
• c: 17.034 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4356.9 ± 1.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 3
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0862
• Residual factor for significantly intense reflections: 0.0481
• Weighted residual factors for significantly intense reflections: 0.1181
• Weighted residual factors for all reflections included in the refinement: 0.1365
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No