Information card for entry 4038493

Structure parameters

• Formula: C147 H132 N16 O27 Zn
• Calculated formula: C147 H132 N16 O27 Zn
• 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: 23.94 ± 0.011 Å
• b: 28.05 ± 0.013 Å
• c: 23.991 ± 0.011 Å
• α: 90°
• β: 119.85 ± 0.008°
• γ: 90°
• Cell volume: 13973 ± 11 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.1687
• Residual factor for significantly intense reflections: 0.1287
• Weighted residual factors for significantly intense reflections: 0.3375
• Weighted residual factors for all reflections included in the refinement: 0.3647
• Goodness-of-fit parameter for all reflections included in the refinement: 1.259
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No