Information card for entry 7245265

Structure parameters

• Formula: C32 H30 N2 O2
• Calculated formula: C32 H30 N2 O2
• Title of publication: Ternary and quaternary cocrystals of 2,7-dihydroxynaphthalene: systematic design with a large synthon module
• Authors of publication: Ahsan, Mollah Rohan; Mukherjee, Arijit
• Journal of publication: CrystEngComm
• Year of publication: 2022
• a: 14.2245 ± 0.0002 Å
• b: 8.7296 ± 0.0002 Å
• c: 20.7083 ± 0.0004 Å
• α: 90°
• β: 100.815 ± 0.002°
• γ: 90°
• Cell volume: 2525.76 ± 0.09 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0724
• Residual factor for significantly intense reflections: 0.0578
• Weighted residual factors for significantly intense reflections: 0.1563
• Weighted residual factors for all reflections included in the refinement: 0.1678
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No