Information card for entry 4502699

Structure parameters

• Formula: C102 H60 N26 O3
• Calculated formula: C102 H60 N26 O3
• Title of publication: Pyridazines in Crystal Engineering. A Systematic Evaluation of the Role of Isomerism and Steric Factors in Determining Crystal Packing and Nano/Microcrystal Morphologies
• Authors of publication: Varughese, Sunil; Draper, Sylvia M.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2010
• Journal volume: 10
• Journal issue: 6
• Pages of publication: 2571
• a: 9.977 ± 0.007 Å
• b: 13.808 ± 0.001 Å
• c: 16.792 ± 0.001 Å
• α: 92.35 ± 0.003°
• β: 100.73 ± 0.002°
• γ: 110.86 ± 0.001°
• Cell volume: 2109.3 ± 1.5 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1649
• Residual factor for significantly intense reflections: 0.0887
• Weighted residual factors for significantly intense reflections: 0.2144
• Weighted residual factors for all reflections included in the refinement: 0.2607
• Goodness-of-fit parameter for all reflections included in the refinement: 0.989
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No