Information card for entry 4034389

Structure parameters

• Common name: 17 in manuscript
• Formula: C56 H84 O2 Si6
• Calculated formula: C56 H84 O2 Si6
• SMILES: [Si](C#CC1=C2C=C3C(=O)c4cc([Si](C)(C)C)c([Si](C)(C)C)cc4C(C#C[Si](C(C)C)(C(C)C)C(C)C)=C3C=C2C(=O)c2cc([Si](C)(C)C)c([Si](C)(C)C)cc12)(C(C)C)(C(C)C)C(C)C
• Title of publication: 2,3-Dihalo- and 2,3,6,7-Tetrahaloanthracenes by Vollhardt Trimerization.
• Authors of publication: Hoffmann, Hendrik; Mukanov, Diana; Ganschow, Michael; Rominger, Frank; Freudenberg, Jan; Bunz, Uwe H. F.
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2019
• Journal volume: 84
• Journal issue: 15
• Pages of publication: 9826 - 9834
• a: 25.742 ± 0.0007 Å
• b: 12.162 ± 0.0002 Å
• c: 18.7326 ± 0.0004 Å
• α: 90°
• β: 105.989 ± 0.002°
• γ: 90°
• Cell volume: 5637.8 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0622
• Residual factor for significantly intense reflections: 0.0463
• Weighted residual factors for significantly intense reflections: 0.1062
• Weighted residual factors for all reflections included in the refinement: 0.1169
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No