Information card for entry 1505925

Structure parameters

• Formula: C29 H23 Cl3
• Calculated formula: C29 H23 Cl3
• SMILES: c1(c2ccccc2c(c2ccccc12)c1c(cccc1)C)c1c(cccc1)C.ClC(Cl)Cl
• 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: 18.1743 ± 0.0016 Å
• b: 14.9401 ± 0.0013 Å
• c: 17.2589 ± 0.0015 Å
• α: 90°
• β: 95.7046 ± 0.0012°
• γ: 90°
• Cell volume: 4663 ± 0.7 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.0581
• Residual factor for significantly intense reflections: 0.0401
• Weighted residual factors for significantly intense reflections: 0.101
• Weighted residual factors for all reflections included in the refinement: 0.1117
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No