Information card for entry 7015333

Structure parameters

• Formula: C34 H26 O8
• Calculated formula: C34 H26 O8
• SMILES: O=C(OC)c1c(c(c(c(c1C(=O)OC)C(=O)OC)C(=O)OC)c1cccc2ccccc12)c1cccc2ccccc12
• Title of publication: One-pot synthesis of substituted benzene via intermolecular [2+2+2] cycloaddition catalyzed by air-stable Ru(II)-complex.
• Authors of publication: Wu, Chung-Yeh; Lin, Ying-Chih; Chou, Pi-Tai; Wang, Yu; Liu, Yi-Hung
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 14
• Pages of publication: 3748 - 3753
• a: 8.7912 ± 0.0001 Å
• b: 13.5652 ± 0.0001 Å
• c: 24.5222 ± 0.0002 Å
• α: 90°
• β: 98.62 ± 0.001°
• γ: 90°
• Cell volume: 2891.35 ± 0.05 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.0441
• Residual factor for significantly intense reflections: 0.0405
• Weighted residual factors for significantly intense reflections: 0.1572
• Weighted residual factors for all reflections included in the refinement: 0.1623
• Goodness-of-fit parameter for all reflections included in the refinement: 1.454
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No