Information card for entry 7250666

Structure parameters

• Formula: C59 H51 Br2 Cl15 N4 O10
• Calculated formula: C59 H51 Br2 Cl15 N4 O10
• Title of publication: Co-crystals built from macrocycles with pyromellitic diimides and naphthalene derivatives: transformation of a binary co-crystal solvate to a solvate through solvent exchange
• Authors of publication: Tominaga, Masahide; Kamada, Ryusei; Hyodo, Tadashi; Yamaguchi, Kentaro
• Journal of publication: CrystEngComm
• Year of publication: 2025
• Journal volume: 27
• Journal issue: 29
• Pages of publication: 5003 - 5009
• a: 9.667 ± 0.0008 Å
• b: 22.9197 ± 0.0019 Å
• c: 15.4712 ± 0.0013 Å
• α: 90°
• β: 98.877 ± 0.003°
• γ: 90°
• Cell volume: 3386.8 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.0622
• Residual factor for significantly intense reflections: 0.0573
• Weighted residual factors for significantly intense reflections: 0.1451
• Weighted residual factors for all reflections included in the refinement: 0.1494
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No