Information card for entry 1506709

Structure parameters

• Formula: C28 H22 O10
• Calculated formula: C28 H22 O10
• SMILES: O=C1C(=C(C(=C(C(=O)OC)C(=O)OC)C(=O)OC)C(=O)OC)C(=O)C(=C1c1ccccc1)c1ccccc1
• Title of publication: Engaging the pyridine-DMAD zwitterion in a novel strategy for the selective synthesis of highly substituted benzene and cyclopentenedione derivatives.
• Authors of publication: Nair, Vijay; Pillai, Abhilash N.; Beneesh, P. B.; Suresh, Eringathodi
• Journal of publication: Organic letters
• Year of publication: 2005
• Journal volume: 7
• Journal issue: 21
• Pages of publication: 4625 - 4628
• a: 9.8631 ± 0.001 Å
• b: 20.512 ± 0.002 Å
• c: 13.5322 ± 0.0014 Å
• α: 90°
• β: 107.616 ± 0.002°
• γ: 90°
• Cell volume: 2609.3 ± 0.5 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0606
• Residual factor for significantly intense reflections: 0.0511
• Weighted residual factors for significantly intense reflections: 0.1477
• Weighted residual factors for all reflections included in the refinement: 0.156
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No