Information card for entry 1505923

Structure parameters

• Formula: C28 H24 O2
• Calculated formula: C28 H24 O2
• SMILES: O(c1c(C(=C(c2c(OC)cccc2)\c2ccccc2)\c2ccccc2)cccc1)C
• Title of publication: Synthesis of sterically hindered ortho-substituted tetraphenylethenes. Electronic effects in the McMurry olefination reaction.
• Authors of publication: Chung, Mee-Kyung; Qi, Guizhong; Stryker, Jeffrey M.
• Journal of publication: Organic letters
• Year of publication: 2006
• Journal volume: 8
• Journal issue: 7
• Pages of publication: 1491 - 1494
• a: 6.0083 ± 0.0004 Å
• b: 19.6711 ± 0.0014 Å
• c: 18.7067 ± 0.0013 Å
• α: 90°
• β: 97.123 ± 0.001°
• γ: 90°
• Cell volume: 2193.9 ± 0.3 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 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: 0.0503
• Residual factor for significantly intense reflections: 0.0371
• Weighted residual factors for significantly intense reflections: 0.094
• Weighted residual factors for all reflections included in the refinement: 0.1035
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No