Information card for entry 1503074

Structure parameters

• Formula: C13 H25 Br2 In O2
• Calculated formula: C13 H25 Br2 In O2
• Title of publication: Regioselective carboindation of simple alkenes with indium tribromide and ketene silyl acetals.
• Authors of publication: Nishimoto, Yoshihiro; Ueda, Hiroki; Inamoto, Yoshihiro; Yasuda, Makoto; Baba, Akio
• Journal of publication: Organic letters
• Year of publication: 2010
• Journal volume: 12
• Journal issue: 15
• Pages of publication: 3390 - 3393
• a: 6.8758 ± 0.0004 Å
• b: 10.8208 ± 0.0007 Å
• c: 12.6521 ± 0.0006 Å
• α: 108.628 ± 0.002°
• β: 94.419 ± 0.002°
• γ: 101.34 ± 0.002°
• Cell volume: 864.64 ± 0.09 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 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: 0.0852
• Residual factor for significantly intense reflections: 0.0794
• Weighted residual factors for significantly intense reflections: 0.1762
• Weighted residual factors for all reflections included in the refinement: 0.1805
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No