Information card for entry 1540611

Structure parameters

• Formula: C60 H56 Si4
• Calculated formula: C60 H56 Si4
• SMILES: [Si](C1=C=C2c3cc4c5c(C(=C=C([Si](C)(C)C)C(=C=C6c7cc8c9c(C(=C=C1[Si](C)(C)C)c8cc7c1c6cccc1)cccc9)[Si](C)(C)C)c4cc3c1c2cccc1)cccc5)(C)(C)C
• Title of publication: Cyclo-oligomerization of 6,12-Diethynyl Indeno[1,2-b]fluorenes via Diradical Intermediates.
• Authors of publication: Fu, Xiangyu; Zhao, Dahui
• Journal of publication: Organic letters
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 22
• Pages of publication: 5694 - 5697
• a: 16.685 ± 0.004 Å
• b: 16.536 ± 0.004 Å
• c: 37.285 ± 0.008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 10287 ± 4 ų
• Cell temperature: 173.15 K
• Ambient diffraction temperature: 173.15 K
• Number of distinct elements: 3
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0923
• Residual factor for significantly intense reflections: 0.0829
• Weighted residual factors for significantly intense reflections: 0.1789
• Weighted residual factors for all reflections included in the refinement: 0.1845
• Goodness-of-fit parameter for all reflections included in the refinement: 1.32
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No