Information card for entry 7116671

Structure parameters

• Formula: C72 H96 O Si4
• Calculated formula: C72 H96 O Si4
• SMILES: c1cccc2c(c3ccc4c(c3c(c12)C#C[Si](C(C)C)(C(C)C)C(C)C)c1c(ccc2c(c3ccccc3c(c12)C#C[Si](C(C)C)(C(C)C)C(C)C)C#C[Si](C(C)C)(C(C)C)C(C)C)o4)C#C[Si](C(C)C)(C(C)C)C(C)C
• Title of publication: Isolation of a 1,4-diketone intermediate in oxidative dimerization of 2-hydroxyanthracene and its conversion to oxahelicene
• Authors of publication: Takashi Matsuno; Yutaro Koyama; Satoru Hiroto; Jatish Kumar; Tsuyoshi Kawai; Hiroshi Shinokubo
• Journal of publication: Chem.Commun.
• Year of publication: 2015
• Journal volume: 51
• Pages of publication: 4607
• a: 19.768 ± 0.003 Å
• b: 21.986 ± 0.004 Å
• c: 16.67 ± 0.003 Å
• α: 90°
• β: 111.807 ± 0.003°
• γ: 90°
• Cell volume: 6727 ± 2 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 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: 0.1494
• Residual factor for significantly intense reflections: 0.0886
• Weighted residual factors for significantly intense reflections: 0.2284
• Weighted residual factors for all reflections included in the refinement: 0.2738
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No