Information card for entry 7111187

Structure parameters

• Formula: C30 H28 Si2
• Calculated formula: C30 H28 Si2
• Title of publication: Synthesis of bent [4]phenylene (cyclobuta[1,2-a:3,4-b′]bisbiphenylene) and structure of a bis(trimethylsilyl) derivative: the last [4]phenylene isomerElectronic supplementary information (ESI) available: selected bond distances and angles for 9, spectral and analytical information. See http://www.rsc.org/suppdata/cc/b1/b109789j/
• Authors of publication: Bong, Dennis T.-Y.; Gentric, Lionel; Holmes, Daniel; Matzger, Adam J.; Scherhag, Frank; Vollhardt, K. Peter C.
• Journal of publication: Chemical Communications
• Year of publication: 2002
• Journal issue: 3
• Pages of publication: 278
• a: 9.5453 ± 0.0002 Å
• b: 22.1287 ± 0.0003 Å
• c: 12.0525 ± 0.0001 Å
• α: 90°
• β: 103.155 ± 0.001°
• γ: 90°
• Cell volume: 2478.98 ± 0.07 ų
• Cell temperature: 147.2 K
• Ambient diffraction temperature: 147.2 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0397
• Residual factor for significantly intense reflections: 0.036
• Weighted residual factors for all reflections: 0.0508
• Weighted residual factors for significantly intense reflections: 0.0497
• Weighted residual factors for all reflections included in the refinement: 0.0497
• Goodness-of-fit parameter for all reflections included in the refinement: 2.054
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No