Information card for entry 7105181

Structure parameters

• Formula: C18 H18 O6
• Calculated formula: C18 H18 O6
• SMILES: O=C(C(=O)c1c(OC)cc(OC)cc1)c1c(OC)cc(OC)cc1
• Title of publication: Efficient ultraviolet-light energy dissipation by an aromatic ketone.
• Authors of publication: El Moncef, Abdelkarim; Cuquerella, M Consuelo; Zaballos, Elena; Ramírez de Arellano, Carmen; Ben-Tama, Abdeslem; Stiriba, Salah-Eddine; Pérez-Prieto, Julia
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2010
• Journal volume: 46
• Journal issue: 5
• Pages of publication: 800 - 802
• a: 8.4629 ± 0.0017 Å
• b: 11.351 ± 0.002 Å
• c: 18.242 ± 0.004 Å
• α: 90°
• β: 113.15 ± 0.03°
• γ: 90°
• Cell volume: 1611.2 ± 0.7 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 3
• 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: 0.065
• Residual factor for significantly intense reflections: 0.0382
• Weighted residual factors for significantly intense reflections: 0.0902
• Weighted residual factors for all reflections included in the refinement: 0.0946
• Goodness-of-fit parameter for all reflections included in the refinement: 0.894
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No