Information card for entry 7250665

Structure parameters

• Formula: C48 H50 N4 O9
• Calculated formula: C48 H50 N4 O9
• 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: 16.4443 ± 0.0005 Å
• b: 16.6197 ± 0.0005 Å
• c: 17.6078 ± 0.0006 Å
• α: 113.668 ± 0.002°
• β: 105.994 ± 0.002°
• γ: 92.943 ± 0.002°
• Cell volume: 4164.5 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.1505
• Residual factor for significantly intense reflections: 0.0918
• Weighted residual factors for significantly intense reflections: 0.2143
• Weighted residual factors for all reflections included in the refinement: 0.2668
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No