Information card for entry 7056452

Structure parameters

• Formula: C80 H80 Cl6 N8
• Calculated formula: C80 H80 Cl6 N8
• Title of publication: Exploring Gem-Dimethyl Effect in the Formation of Imine-Based Macrocycles and Cages
• Authors of publication: Madhu, Suresh; Rashmi, E.; Gonnade, Rajesh G.; Sanjayan, G. J.
• Journal of publication: New J. Chem.
• Year of publication: 2017
• Journal volume: 41
• Journal issue: 17
• Pages of publication: 8721 - 8724
• a: 24.2039 ± 0.0009 Å
• b: 14.9856 ± 0.0006 Å
• c: 19.4818 ± 0.0008 Å
• α: 90°
• β: 98.214 ± 0.001°
• γ: 90°
• Cell volume: 6993.8 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for all reflections: 0.1031
• Residual factor for significantly intense reflections: 0.0592
• Weighted residual factors for significantly intense reflections: 0.1402
• Weighted residual factors for all reflections included in the refinement: 0.1615
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No