Information card for entry 1548692

Structure parameters

• Formula: C28 H38 O3 Si2
• Calculated formula: C28 H38 O3 Si2
• Title of publication: Preparation of phenalenes and hydronaphthacenes through tandem alkyne Fischer-carbene complex coupling and inter- or intramolecular Diels-Alder reactions
• Authors of publication: Rajesh Kumar Patti; Shaofeng Duan; Zhipeng Wang; James W. Herndon
• Journal of publication: Tetrahedron Letters
• Year of publication: 2011
• Journal volume: 52
• Pages of publication: 4182 - 4185
• a: 22.3365 ± 0.0007 Å
• b: 13.2652 ± 0.0004 Å
• c: 18.354 ± 0.0005 Å
• α: 90°
• β: 99.73 ± 0.002°
• γ: 90°
• Cell volume: 5360 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• 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: 0.1166
• Residual factor for significantly intense reflections: 0.1024
• Weighted residual factors for significantly intense reflections: 0.2624
• Weighted residual factors for all reflections included in the refinement: 0.272
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No