Information card for entry 7717948

Structure parameters

• Formula: C88 H112 K2 N6 O4
• Calculated formula: C88 H112 K2 N6 O4
• 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: 21.9048 ± 0.0012 Å
• b: 14.7155 ± 0.0009 Å
• c: 26.2038 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8446.5 ± 0.8 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.1866
• Residual factor for significantly intense reflections: 0.087
• Weighted residual factors for significantly intense reflections: 0.2074
• Weighted residual factors for all reflections included in the refinement: 0.2749
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No