Information card for entry 4027173

Structure parameters

• Formula: C16 H32 Br2 Cl2 In2 O4
• Calculated formula: C16 H32 Br2 Cl2 In2 O4
• Title of publication: Direct Synthesis of B-Allyl and B-Allenyldiisopinocampheylborane Reagents Using Allyl or Propargyl Halides and Indium Metal Under Barbier-Type Conditions
• Authors of publication: Lacie C. Hirayama; Terra D. Haddad; Allen G. Oliver; Bakthan Singaram
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2012
• Journal volume: 77
• Pages of publication: 4342 - 4353
• a: 15.393 ± 0.002 Å
• b: 10.506 ± 0.0017 Å
• c: 15.698 ± 0.003 Å
• α: 90°
• β: 95.853 ± 0.002°
• γ: 90°
• Cell volume: 2525.4 ± 0.7 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 6
• 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: 0.0596
• Residual factor for significantly intense reflections: 0.0433
• Weighted residual factors for significantly intense reflections: 0.1082
• Weighted residual factors for all reflections included in the refinement: 0.1186
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No