Information card for entry 7064156

Structure parameters

• Formula: C81 H69 Li2 N3 O2
• Calculated formula: C81 H69 Li2 N3 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: 11.1331 ± 0.0003 Å
• b: 11.7087 ± 0.0002 Å
• c: 11.9357 ± 0.0003 Å
• α: 86.021 ± 0.0019°
• β: 83.123 ± 0.002°
• γ: 83.042 ± 0.002°
• Cell volume: 1530.92 ± 0.06 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 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: 0.068
• Residual factor for significantly intense reflections: 0.0643
• Weighted residual factors for significantly intense reflections: 0.1814
• Weighted residual factors for all reflections included in the refinement: 0.1858
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No