Information card for entry 7064157

Structure parameters

• Formula: C42 H48 Li N3 O
• Calculated formula: C42 H48 Li N3 O
• 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: 8.9421 ± 0.0001 Å
• b: 11.338 ± 0.0002 Å
• c: 18.022 ± 0.0002 Å
• α: 74.276 ± 0.001°
• β: 81.494 ± 0.001°
• γ: 78.602 ± 0.001°
• Cell volume: 1715.47 ± 0.04 ų
• Cell temperature: 100 ± 0.3 K
• Ambient diffraction temperature: 100 ± 0.3 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: 0.043
• Residual factor for significantly intense reflections: 0.0416
• Weighted residual factors for significantly intense reflections: 0.1088
• Weighted residual factors for all reflections included in the refinement: 0.11
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No