Information card for entry 2311547

Structure parameters

• Formula: C20 H14 O6
• Calculated formula: C20 H14 O6
• SMILES: c1(ccccc1)OC(=O)Oc1cc(ccc1)OC(=O)Oc1ccccc1
• Title of publication: Crystal structure of a di-aryl carbonate: 1,3-phenyl-ene bis-(phenyl carbonate).
• Authors of publication: Solomos, Marina A.; Bertke, Jeffery A.; Swift, Jennifer A.
• Journal of publication: Acta crystallographica. Section E, Crystallographic communications
• Year of publication: 2017
• Journal volume: 73
• Journal issue: Pt 12
• Pages of publication: 1942 - 1945
• a: 12.9597 ± 0.0012 Å
• b: 31.548 ± 0.003 Å
• c: 3.8219 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1562.6 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0476
• Residual factor for significantly intense reflections: 0.0395
• Weighted residual factors for significantly intense reflections: 0.0891
• Weighted residual factors for all reflections included in the refinement: 0.0925
• Goodness-of-fit parameter for all reflections included in the refinement: 1.164
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No