Information card for entry 2313038

Structure parameters

• Formula: C12 H10 O
• Calculated formula: C12 H10 O
• Title of publication: Insights into [(2-phen-oxy-phen-yl)lithium(THF)(TMEDA)] and diphenyl ether: structural influence of metalation on the aromatic system.
• Authors of publication: Nuss, Michael; Schrimpf, Tobias; Strohmann, Carsten
• Journal of publication: Acta crystallographica. Section E, Crystallographic communications
• Year of publication: 2026
• Journal volume: 82
• Journal issue: Pt 6
• Pages of publication: 567 - 571
• a: 5.6154 ± 0.001 Å
• b: 7.7194 ± 0.0011 Å
• c: 20.884 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 905.3 ± 0.2 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0465
• Residual factor for significantly intense reflections: 0.0386
• Weighted residual factors for significantly intense reflections: 0.1039
• Weighted residual factors for all reflections included in the refinement: 0.1093
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No