Information card for entry 1503075

Structure parameters

• Formula: C22 H38 Br4 In2 O4
• Calculated formula: C22 H38 Br4 In2 O4
• SMILES: [In]12(Br)([O]=C(OC)C(C)([C@@H]3CCCC[C@@H]13)C)[Br][In]1(Br)([Br]2)[O]=C(OC)C(C)([C@H]2CCCC[C@H]12)C
• 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: 8.9488 ± 0.0005 Å
• b: 17.4208 ± 0.0008 Å
• c: 10.2343 ± 0.0006 Å
• α: 90°
• β: 110.248 ± 0.002°
• γ: 90°
• Cell volume: 1496.88 ± 0.14 ų
• Cell temperature: 123.1 K
• Ambient diffraction temperature: 123.1 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.0581
• Weighted residual factors for all reflections included in the refinement: 0.0687
• Goodness-of-fit parameter for all reflections included in the refinement: 1.146
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No