Information card for entry 7116668

Structure parameters

• Formula: C72 H96 O Si4
• Calculated formula: C72 H96 O Si4
• SMILES: c12ccc3c(c4ccccc4c(c3c1c1c(ccc3c(c4ccccc4c(c13)C#C[Si](C(C)C)(C(C)C)C(C)C)C#C[Si](C(C)C)(C(C)C)C(C)C)o2)C#C[Si](C(C)C)(C(C)C)C(C)C)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: 13.7114 ± 0.0007 Å
• b: 19.2562 ± 0.0011 Å
• c: 25.0769 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6621 ± 0.6 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0455
• Residual factor for significantly intense reflections: 0.0388
• Weighted residual factors for significantly intense reflections: 0.087
• Weighted residual factors for all reflections included in the refinement: 0.0908
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No