Information card for entry 1507022

Structure parameters

• Chemical name: 1,4-Bis(1-sila-2-indenyl)benzene
• Formula: C26 H26 Si2
• Calculated formula: C26 H26 Si2
• SMILES: [Si]1(C(=Cc2ccccc12)c1ccc(C2=Cc3ccccc3[Si]2(C)C)cc1)(C)C
• Title of publication: General silaindene synthesis based on intramolecular reductive cyclization toward new fluorescent silicon-containing pi-electron materials.
• Authors of publication: Xu, Caihong; Wakamiya, Atsushi; Yamaguchi, Shigehiro
• Journal of publication: Organic letters
• Year of publication: 2004
• Journal volume: 6
• Journal issue: 21
• Pages of publication: 3707 - 3710
• a: 9.095 ± 0.005 Å
• b: 9.85 ± 0.005 Å
• c: 24.523 ± 0.005 Å
• α: 90 ± 0.005°
• β: 92.51 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 2194.8 ± 1.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0583
• Residual factor for significantly intense reflections: 0.0451
• Weighted residual factors for significantly intense reflections: 0.1092
• Weighted residual factors for all reflections included in the refinement: 0.1162
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No