Information card for entry 7235225

Structure parameters

• Formula: C44.8 H39.6 N3.6 O8.2
• Calculated formula: C44.8 H39.6 N3.6 O8.2
• 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: 10.3818 ± 0.0005 Å
• b: 10.9676 ± 0.0002 Å
• c: 18.7727 ± 0.0005 Å
• α: 95.299 ± 0.002°
• β: 98.714 ± 0.003°
• γ: 91.279 ± 0.003°
• Cell volume: 2102.39 ± 0.12 ų
• Cell temperature: 93 K
• Ambient diffraction temperature: 93 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1811
• Residual factor for significantly intense reflections: 0.1379
• Weighted residual factors for significantly intense reflections: 0.3957
• Weighted residual factors for all reflections included in the refinement: 0.4352
• Goodness-of-fit parameter for all reflections included in the refinement: 1.586
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No