Information card for entry 7160704

Structure parameters

• Formula: C42 H53 N O2
• Calculated formula: C42 H53 N O2
• Title of publication: Unlocking iminodioxocines and amine-bis(phenols) <i>via</i> sterically guided ammonia condensation: a shortcut to tunable ONO pincer ligands.
• Authors of publication: Strunin, Daniil; Pak, Alexandra; Khakina, Ekaterina; Solov'eva, Svetlana; Nelyubina, Yulia; Nikovskiy, Igor
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2025
• Journal volume: 23
• Journal issue: 36
• Pages of publication: 8332 - 8340
• a: 9.5731 ± 0.0016 Å
• b: 13.252 ± 0.002 Å
• c: 15.012 ± 0.003 Å
• α: 106.343 ± 0.004°
• β: 94.889 ± 0.004°
• γ: 97.001 ± 0.004°
• Cell volume: 1799.5 ± 0.5 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1391
• Residual factor for significantly intense reflections: 0.0602
• Weighted residual factors for significantly intense reflections: 0.1204
• Weighted residual factors for all reflections included in the refinement: 0.1516
• Goodness-of-fit parameter for all reflections included in the refinement: 0.952
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No