Information card for entry 4084170

Structure parameters

• Formula: C17 H15 Br2 In N2 O2
• Calculated formula: C17 H15 Br2 In N2 O2
• SMILES: [In]1(Br)(Br)([O]=C2N(C1/C=C/C)C(=O)c1ccccc21)[n]1ccccc1
• Title of publication: Chiral Transfer in the Reaction of Aminoallylic Stannanes with Carbonyls in Two Different Modes using Tin(II) and Indium(III) Halides for the Synthesis of Each Enantiomer
• Authors of publication: Yasuda, Makoto; Nagano, Yoshitaka; Yunoki, Hiroshi; Tsuruwa, Kensuke; Baba, Akio
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 15
• Pages of publication: 3924
• a: 8.2251 ± 0.0008 Å
• b: 10.5174 ± 0.0009 Å
• c: 12.2518 ± 0.0011 Å
• α: 106.618 ± 0.003°
• β: 97.246 ± 0.003°
• γ: 108.879 ± 0.003°
• Cell volume: 932.59 ± 0.15 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0693
• Weighted residual factors for all reflections included in the refinement: 0.0515
• Goodness-of-fit parameter for all reflections included in the refinement: 1.371
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No