Information card for entry 7207703

Structure parameters

• Formula: C52 H60 Si2
• Calculated formula: C52 H60 Si2
• SMILES: [Si](C(C)C)(C#Cc1c2c(c(c3c(c4c(c(c13)c1ccccc1)cccc4)c1ccccc1)C#C[Si](C(C)C)(C(C)C)C(C)C)cccc2)(C(C)C)C(C)C
• Title of publication: Structure, photophysics, and photooxidation of crowded diethynyltetracenes
• Authors of publication: Zhang, Jingjing; Sarrafpour, Syena; Haas, Terry E.; Müller, Peter; Thomas, Samuel W.
• Journal of publication: Journal of Materials Chemistry
• Year of publication: 2012
• Journal volume: 22
• Journal issue: 13
• Pages of publication: 6182
• a: 9.5021 ± 0.0008 Å
• b: 18.5086 ± 0.0015 Å
• c: 24.385 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4288.6 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.046
• Residual factor for significantly intense reflections: 0.0364
• Weighted residual factors for significantly intense reflections: 0.0831
• Weighted residual factors for all reflections included in the refinement: 0.0889
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No