Information card for entry 4038492

Structure parameters

• Formula: C152 H128 N8 O24 Zn
• Calculated formula: C152 H128 N8 O24 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: 12.8844 ± 0.0013 Å
• b: 13.9073 ± 0.0013 Å
• c: 20.6328 ± 0.0019 Å
• α: 98.862 ± 0.007°
• β: 106.525 ± 0.007°
• γ: 94.899 ± 0.007°
• Cell volume: 3469.4 ± 0.6 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1869
• Residual factor for significantly intense reflections: 0.138
• Weighted residual factors for significantly intense reflections: 0.384
• Weighted residual factors for all reflections included in the refinement: 0.42
• Goodness-of-fit parameter for all reflections included in the refinement: 1.446
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No