Information card for entry 7111692

Structure parameters

• Formula: C70 H152 Si18
• Calculated formula: C70 H152 Si18
• SMILES: c1(c(cc(cc1C([Si](C)(C)C)[Si](C)(C)C)C([Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C)C([Si](C)(C)C)[Si](C)(C)C)/[Si](=[Si](C#C[Si](C)(C)C)/c1c(cc(cc1C([Si](C)(C)C)[Si](C)(C)C)C([Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C)C([Si](C)(C)C)[Si](C)(C)C)C#C[Si](C)(C)C
• Title of publication: 1,2-Dialkynyldisilenes: silicon analogues of (E)-enediyne
• Authors of publication: Sato, Takahiro; Mizuhata, Yoshiyuki; Tokitoh, Norihiro
• Journal of publication: Chemical Communications
• Year of publication: 2010
• Journal volume: 46
• Journal issue: 24
• Pages of publication: 4402 - 4404
• a: 13.4469 ± 0.0016 Å
• b: 13.4846 ± 0.0013 Å
• c: 15.106 ± 0.002 Å
• α: 69.666 ± 0.005°
• β: 68.255 ± 0.008°
• γ: 72.742 ± 0.008°
• Cell volume: 2340.9 ± 0.5 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0916
• Residual factor for significantly intense reflections: 0.0706
• Weighted residual factors for significantly intense reflections: 0.1803
• Weighted residual factors for all reflections included in the refinement: 0.2022
• Goodness-of-fit parameter for all reflections included in the refinement: 1.128
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No