Information card for entry 7023176

Structure parameters

• Formula: C56 H84 I In N2 O2
• Calculated formula: C56 H84 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)CC)C(C)(C)C)OC1=C([C@H](C(=CC1=[N]2c1c(cccc1C(C)C)C(C)C)C(C)(C)C)CC)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)CC)C(C)(C)C)OC1=C([C@@H](C(=CC1=[N]2c1c(cccc1C(C)C)C(C)C)C(C)(C)C)CC)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: 11.1943 ± 0.0006 Å
• b: 13.2672 ± 0.0007 Å
• c: 20.1217 ± 0.0011 Å
• α: 81.447 ± 0.001°
• β: 77.895 ± 0.001°
• γ: 71.084 ± 0.001°
• Cell volume: 2753.6 ± 0.3 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: 0.053
• Residual factor for significantly intense reflections: 0.0398
• Weighted residual factors for significantly intense reflections: 0.0975
• Weighted residual factors for all reflections included in the refinement: 0.1027
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No