Information card for entry 7717944

Structure parameters

• Formula: C94 H112 K2 N6 O2
• Calculated formula: C94 H112 K2 N6 O2
• Title of publication: Low-coordinate potassium alkoxide – an efficient trap for arenes: the role of ηn non-covalent bonding in substrate activation for C–H bond metalation
• Authors of publication: Selikhov, Alexander N.; Nelyubina, Yulia V.; Aysin, Rinat R.; Trifonov, Alexander A.
• Journal of publication: Dalton Transactions
• Year of publication: 2025
• Journal volume: 54
• Journal issue: 11
• Pages of publication: 4503 - 4517
• a: 12.1208 ± 0.0005 Å
• b: 13.8895 ± 0.0005 Å
• c: 13.9198 ± 0.0005 Å
• α: 118.07 ± 0.002°
• β: 103.177 ± 0.002°
• γ: 94.963 ± 0.002°
• Cell volume: 1961.45 ± 0.14 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0661
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for significantly intense reflections: 0.0995
• Weighted residual factors for all reflections included in the refinement: 0.109
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No