Information card for entry 7150252

Structure parameters

• Formula: C32 H34
• Calculated formula: C32 H34
• SMILES: C(c1ccc(cc1)c1c(cccc1)c1c(cccc1)c1ccc(C(C)(C)C)cc1)(C)(C)C
• Title of publication: Synthesis and spectroscopy of an oligophenyl based cruciform with remarkable pi-pi assisted folding.
• Authors of publication: Nehls, Benjamin S.; Galbrecht, Frank; Bilge, Askin; Brauer, David J.; Lehmann, Christian W.; Scherf, Ullrich; Farrell, Tony
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2005
• Journal volume: 3
• Journal issue: 17
• Pages of publication: 3213 - 3219
• a: 7.6807 ± 0.0001 Å
• b: 13.2365 ± 0.0001 Å
• c: 24.25 ± 0.0003 Å
• α: 90°
• β: 93.2 ± 0.001°
• γ: 90°
• Cell volume: 2461.55 ± 0.05 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 2
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0431
• Residual factor for significantly intense reflections: 0.0424
• Weighted residual factors for significantly intense reflections: 0.1072
• Weighted residual factors for all reflections included in the refinement: 0.1078
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No