Information card for entry 7235226

Structure parameters

• Formula: C42 H26 N2 O4
• Calculated formula: C42 H26 N2 O4
• Title of publication: Co-crystals of 9,9′-bianthracene-10,10′-dicarboxylic acid with linear bidentate basic ligand molecules: synthesis, crystal structure, and properties based on the layer structure exfoliated by water
• Authors of publication: Okayasu, Misaki; Kikkawa, Shoko; Hikawa, Hidemasa; Azumaya, Isao
• Journal of publication: CrystEngComm
• Year of publication: 2020
• Journal volume: 22
• Journal issue: 3
• Pages of publication: 497 - 505
• a: 12.1391 ± 0.0002 Å
• b: 12.7561 ± 0.00012 Å
• c: 38.9751 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6035.2 ± 0.13 ų
• Cell temperature: 93 K
• Ambient diffraction temperature: 93 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: 0.099
• Residual factor for significantly intense reflections: 0.0954
• Weighted residual factors for significantly intense reflections: 0.2882
• Weighted residual factors for all reflections included in the refinement: 0.2908
• Goodness-of-fit parameter for all reflections included in the refinement: 1.146
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No