Information card for entry 4079141

Structure parameters

• Formula: C45 H60 O Si5
• Calculated formula: C45 H60 O Si5
• SMILES: [Si]12(OC3=C(C(C(=C3c3ccccc3)c3ccccc3)c3ccccc3)c3c1cccc3)C(CCC2([Si](C)(C)C)[Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C
• Title of publication: Siloxy-Substituted Cyclopentadiene Showing Aggregation-Enhanced Emission: An Application of Cycloaddition of Isolable Dialkylsilylene
• Authors of publication: Ishida, Shintaro; Uchida, Kenya; Onodera, Tsunenobu; Oikawa, Hidetoshi; Kira, Mitsuo; Iwamoto, Takeaki
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 17
• Pages of publication: 5983
• a: 42.824 ± 0.009 Å
• b: 10.924 ± 0.002 Å
• c: 19.516 ± 0.004 Å
• α: 90°
• β: 109.912 ± 0.003°
• γ: 90°
• Cell volume: 8584 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0657
• Residual factor for significantly intense reflections: 0.0561
• Weighted residual factors for significantly intense reflections: 0.143
• Weighted residual factors for all reflections included in the refinement: 0.151
• 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