Information card for entry 7251160

Structure parameters

• Formula: C23 H17 N O
• Calculated formula: C23 H17 N O
• Title of publication: Supramolecular dual-synthon in cocrystals of 1-azaanthracene and naphthols: cooperation between hydrogen bonds and cation–π interactions
• Authors of publication: Yamada, Shinji; Akazawa, Rika; Chida, Moemi
• Journal of publication: CrystEngComm
• Year of publication: 2025
• Journal volume: 27
• Journal issue: 46
• Pages of publication: 7491 - 7497
• a: 11.9255 ± 0.0003 Å
• b: 8.1437 ± 0.0002 Å
• c: 34.919 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3391.25 ± 0.15 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1121
• Residual factor for significantly intense reflections: 0.0757
• Weighted residual factors for significantly intense reflections: 0.1922
• Weighted residual factors for all reflections included in the refinement: 0.2424
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No