Information card for entry 4038494

Structure parameters

• Formula: C36 H30 N4 O6
• Calculated formula: C36 H30 N4 O6
• Title of publication: Multivalent Allyl-Substituted Macrocycles as Non-Aggregating Building Blocks.
• Authors of publication: Husain, Ali; Ganesan, Asaithampi; Ghazal, Basma; Makhseed, Saad
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2020
• a: 12.8709 ± 0.0004 Å
• b: 15.6947 ± 0.0004 Å
• c: 16.5272 ± 0.0005 Å
• α: 90°
• β: 92.507 ± 0.002°
• γ: 90°
• Cell volume: 3335.38 ± 0.17 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 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: 0.1505
• Residual factor for significantly intense reflections: 0.0713
• Weighted residual factors for significantly intense reflections: 0.1979
• Weighted residual factors for all reflections included in the refinement: 0.2596
• Goodness-of-fit parameter for all reflections included in the refinement: 0.997
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No