Information card for entry 1504202

Structure parameters

• Formula: C30 H34
• Calculated formula: C30 H34
• SMILES: c12c(cc3c(c1)CCC(C)(C)c1c3cc(cc1)C)CCC(C)(C)c1c2cc(cc1)C
• Title of publication: A versatile preparation of Geländer-type p-terphenyls from a readily available diacetylenic precursor.
• Authors of publication: Modjewski, Matthew; Lindeman, Sergey V.; Rathore, Rajendra
• Journal of publication: Organic letters
• Year of publication: 2009
• Journal volume: 11
• Journal issue: 20
• Pages of publication: 4656 - 4659
• a: 11.075 ± 0.003 Å
• b: 14.841 ± 0.003 Å
• c: 15.693 ± 0.004 Å
• α: 118.089 ± 0.011°
• β: 91.405 ± 0.014°
• γ: 92.655 ± 0.012°
• Cell volume: 2270 ± 1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.127
• Residual factor for significantly intense reflections: 0.0993
• Weighted residual factors for significantly intense reflections: 0.2565
• Weighted residual factors for all reflections included in the refinement: 0.2693
• Goodness-of-fit parameter for all reflections included in the refinement: 1.846
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No