Information card for entry 1508704

Structure parameters

• Common name: TIPS-Bpin-BDF
• Chemical name: TIPS-Bpin-BDF
• Formula: C40 H68 B2 O6 Si2
• Calculated formula: C40 H68 B2 O6 Si2
• Title of publication: Borylation on benzo[1,2-b:4,5-b']- and naphtho[1,2-b:5,6-b']dichalcogenophenes: different chalcogene atom effects on borylation reaction depending on fused ring structure.
• Authors of publication: Nakano, Masahiro; Shinamura, Shoji; Sugimoto, Ryusuke; Osaka, Itaru; Miyazaki, Eigo; Takimiya, Kazuo
• Journal of publication: Organic letters
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 21
• Pages of publication: 5448 - 5451
• a: 7.7423 ± 0.0018 Å
• b: 11.828 ± 0.003 Å
• c: 12.677 ± 0.003 Å
• α: 73.699 ± 0.007°
• β: 86.956 ± 0.007°
• γ: 83.755 ± 0.007°
• Cell volume: 1107.3 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0654
• Residual factor for significantly intense reflections: 0.0561
• Weighted residual factors for significantly intense reflections: 0.1826
• Weighted residual factors for all reflections included in the refinement: 0.1902
• Goodness-of-fit parameter for all reflections included in the refinement: 1.194
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No