Information card for entry 7251164

Structure parameters

• Formula: C36 H26 N2 O2
• Calculated formula: C36 H26 N2 O2
• 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: 13.8579 ± 0.0005 Å
• b: 10.9972 ± 0.0005 Å
• c: 8.7947 ± 0.0004 Å
• α: 90°
• β: 102.687 ± 0.002°
• γ: 90°
• Cell volume: 1307.57 ± 0.1 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 K
• Number of distinct elements: 4
• 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: 0.1129
• Residual factor for significantly intense reflections: 0.0984
• Weighted residual factors for significantly intense reflections: 0.2816
• Weighted residual factors for all reflections included in the refinement: 0.297
• Goodness-of-fit parameter for all reflections included in the refinement: 1.117
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No