Information card for entry 4069240

Structure parameters

• Formula: C34 H41 Br2 Cl3 In N O
• Calculated formula: C34 H41 Br2 Cl3 In N O
• SMILES: [In](Br)(Br)([O]1Cc2ccccc2C1)([N]#CC)CC=C(c1ccc(cc1)C(C)(C)C)c1ccc(cc1)C(C)(C)C.ClC(Cl)Cl
• Title of publication: Isolation and Characterization of a Nucleophilic Allylic Indium Reagent
• Authors of publication: Yasuda, Makoto; Haga, Masahiko; Baba, Akio
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 7
• Pages of publication: 1998
• a: 6.2947 ± 0.001 Å
• b: 14.488 ± 0.003 Å
• c: 20.349 ± 0.003 Å
• α: 91.644 ± 0.004°
• β: 99.148 ± 0.004°
• γ: 93.897 ± 0.004°
• Cell volume: 1826.5 ± 0.5 ų
• Cell temperature: 123.1 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0656
• Weighted residual factors for all reflections included in the refinement: 0.1268
• Goodness-of-fit parameter for all reflections included in the refinement: 0.608
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No