Information card for entry 4504516

Structure parameters

• Formula: C21 H18 N O3
• Calculated formula: C21 H18 N O3
• 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: 8.2627 ± 0.0013 Å
• b: 10.0415 ± 0.0016 Å
• c: 10.3726 ± 0.0017 Å
• α: 90.401 ± 0.003°
• β: 102.338 ± 0.003°
• γ: 96.76 ± 0.004°
• Cell volume: 834.4 ± 0.2 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: 0.0586
• Residual factor for significantly intense reflections: 0.0433
• Weighted residual factors for significantly intense reflections: 0.1165
• Weighted residual factors for all reflections included in the refinement: 0.1228
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No