Information card for entry 1504923

Structure parameters

• Formula: C74 H94
• Calculated formula: C74 H94
• SMILES: c1c(cccc1c1cc(cc(c1)c1cc(cc(c1)C(C)(C)C)C(C)(C)C)c1cc(cc(c1)C(C)(C)C)C(C)(C)C)c1cc(cc(c1)c1cc(cc(c1)C(C)(C)C)C(C)(C)C)c1cc(cc(c1)C(C)(C)C)C(C)(C)C
• Title of publication: Iterative synthesis of 1,3,5-polyphenylene dendrons via C-H activation.
• Authors of publication: Finke, Aaron D.; Moore, Jeffrey S.
• Journal of publication: Organic letters
• Year of publication: 2008
• Journal volume: 10
• Journal issue: 21
• Pages of publication: 4851 - 4854
• a: 15.1083 ± 0.0008 Å
• b: 16.5046 ± 0.0008 Å
• c: 16.7776 ± 0.0009 Å
• α: 81.808 ± 0.003°
• β: 78.842 ± 0.003°
• γ: 70.258 ± 0.003°
• Cell volume: 3849.8 ± 0.4 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 2
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1945
• Residual factor for significantly intense reflections: 0.0691
• Weighted residual factors for significantly intense reflections: 0.1367
• Weighted residual factors for all reflections included in the refinement: 0.1693
• Goodness-of-fit parameter for all reflections included in the refinement: 0.815
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No