Information card for entry 7150538

Structure parameters

• Formula: C34 H28 O8
• Calculated formula: C34 H28 O8
• SMILES: C(=C\c1ccc(cc1)c1cc(cc(c1)C(=O)OC)C(=O)OC)/c1ccc(cc1)c1cc(cc(c1)C(=O)OC)C(=O)OC
• Title of publication: Synthesis and characterization of photoluminescent vinylbiphenyl decorated polyhedral oligomeric silsesquioxanes
• Authors of publication: Vautravers, Nicolas R.; André, Pascal; Slawin, A. M. Z.; Cole-Hamilton, David J.
• Journal of publication: Organic & Biomolecular Chemistry
• Year of publication: 2009
• Journal volume: 7
• Journal issue: 4
• Pages of publication: 717 - 724
• a: 4.7172 ± 0.0006 Å
• b: 14.805 ± 0.002 Å
• c: 19.787 ± 0.003 Å
• α: 90°
• β: 93.81 ± 0.004°
• γ: 90°
• Cell volume: 1378.8 ± 0.3 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 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: 0.0499
• Residual factor for significantly intense reflections: 0.0432
• Weighted residual factors for significantly intense reflections: 0.1124
• Weighted residual factors for all reflections included in the refinement: 0.1201
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No