Information card for entry 7134998

Structure parameters

• Formula: C21 H21 Br N2 O
• Calculated formula: C21 H21 Br N2 O
• Title of publication: Efficient synthetic approach to <i>m</i>-terphenyl derivatives <i>via</i> arylation of azolium salts.
• Authors of publication: Kar, Subarna; Ramachandran, Arya; Rit, Arnab
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2025
• Journal volume: 61
• Journal issue: 86
• Pages of publication: 16802 - 16805
• a: 12.9547 ± 0.0013 Å
• b: 10.2165 ± 0.0011 Å
• c: 16.1046 ± 0.0015 Å
• α: 90°
• β: 113.338 ± 0.003°
• γ: 90°
• Cell volume: 1957.1 ± 0.3 ų
• Cell temperature: 302.15 K
• Ambient diffraction temperature: 302 ± 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: 0.0508
• Residual factor for significantly intense reflections: 0.0384
• Weighted residual factors for significantly intense reflections: 0.1016
• Weighted residual factors for all reflections included in the refinement: 0.1091
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No