Information card for entry 4504520

Structure parameters

• Formula: C47 H41 N4 O4.5
• Calculated formula: C47 H40 N4 O4.5
• Title of publication: Formation of Interesting Organic Supramolecular Structures in the Solid-State Self-Assembly of Triphenol Adducts
• Authors of publication: Jayaraman, Akhila; Balasubramaniam, Venkataramanan; Valiyaveettil, Suresh
• Journal of publication: Crystal Growth & Design
• Year of publication: 2006
• Journal volume: 6
• Journal issue: 1
• Pages of publication: 150
• a: 11.305 ± 0.003 Å
• b: 12.491 ± 0.003 Å
• c: 14.381 ± 0.004 Å
• α: 100.202 ± 0.006°
• β: 95.766 ± 0.005°
• γ: 103.474 ± 0.006°
• Cell volume: 1922.2 ± 0.9 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 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: 0.1381
• Residual factor for significantly intense reflections: 0.0593
• Weighted residual factors for significantly intense reflections: 0.1339
• Weighted residual factors for all reflections included in the refinement: 0.1615
• Goodness-of-fit parameter for all reflections included in the refinement: 0.977
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No