Information card for entry 7023175

Structure parameters

• Formula: C54 H80 I In N2 O2
• Calculated formula: C54 H80 I In N2 O2
• SMILES: [In]12(I)(OC3=C([C@H](C(=CC3=[N]1c1c(cccc1C(C)C)C(C)C)C(C)(C)C)C)C(C)(C)C)OC1=C([C@@H](C(=CC1=[N]2c1c(cccc1C(C)C)C(C)C)C(C)(C)C)C)C(C)(C)C.[In]12(I)(OC3=C([C@@H](C(=CC3=[N]1c1c(cccc1C(C)C)C(C)C)C(C)(C)C)C)C(C)(C)C)OC1=C([C@H](C(=CC1=[N]2c1c(cccc1C(C)C)C(C)C)C(C)(C)C)C)C(C)(C)C
• Title of publication: The new C-C bond formation in the reaction of o-amidophenolate indium(III) complex with alkyl iodides.
• Authors of publication: Piskunov, Alexandr V.; Meshcheryakova, Irina N.; Fukin, Georgy K.; Shavyrin, Andrei S.; Cherkasov, Vladimir K.; Abakumov, Gleb A.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 29
• Pages of publication: 10533 - 10539
• a: 10.4639 ± 0.0019 Å
• b: 12.638 ± 0.002 Å
• c: 22.385 ± 0.004 Å
• α: 74.287 ± 0.003°
• β: 78.611 ± 0.002°
• γ: 72.322 ± 0.002°
• Cell volume: 2693.6 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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 all reflections: 0.1098
• Residual factor for significantly intense reflections: 0.06
• Weighted residual factors for significantly intense reflections: 0.1338
• Weighted residual factors for all reflections included in the refinement: 0.1471
• Goodness-of-fit parameter for all reflections included in the refinement: 0.943
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No