Information card for entry 7064160

Structure parameters

• Formula: C76 H64 K2 N2 O2
• Calculated formula: C76 H64 K2 N2 O2
• Title of publication: Synthesis, Structural and Photophysical Studies of Mono-and Dinuclear Alkali Metal 2,6-dibenzhydryl-4-methylphenolates
• Authors of publication: Bardonov, Daniil; Nasyrova, Darina; Metlin, Mikhail T.; Minyaev, Mikhail E.; Taydakov, Ilya V.; Roitershtein, Dmitrii M.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2026
• a: 12.3599 ± 0.0001 Å
• b: 15.1436 ± 0.0002 Å
• c: 16.7657 ± 0.0002 Å
• α: 90°
• β: 104.433 ± 0.001°
• γ: 90°
• Cell volume: 3039.05 ± 0.06 ų
• Cell temperature: 100 ± 0.2 K
• Ambient diffraction temperature: 100 ± 0.2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0403
• Residual factor for significantly intense reflections: 0.0387
• Weighted residual factors for significantly intense reflections: 0.0999
• Weighted residual factors for all reflections included in the refinement: 0.1011
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No