Information card for entry 4505106

Structure parameters

• Formula: C43 H44 N4 O6
• Calculated formula: C43 H44 N4 O6
• SMILES: Oc1c(C(c2cc(O)cc(O)c2)c2ccccc2O)cccc1.n1ccc(CCc2ccncc2)cc1.n1ccc(CCc2ccncc2)cc1.O.O
• Title of publication: Self-Assembly of Tetraphenol and Its Complexes with Aromatic Diamines: Novel Interpenetrating and Noninterpenetrating Organic Assemblies
• Authors of publication: Jayaraman, Akhila; Balasubramaniam, Venkataramanan; Valiyaveettil, Suresh
• Journal of publication: Crystal Growth & Design
• Year of publication: 2005
• Journal volume: 5
• Journal issue: 4
• Pages of publication: 1575
• a: 9.331 ± 0.0012 Å
• b: 10.9334 ± 0.0014 Å
• c: 20.492 ± 0.003 Å
• α: 96.124 ± 0.003°
• β: 100.397 ± 0.003°
• γ: 110.341 ± 0.003°
• Cell volume: 1895.2 ± 0.4 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: 0.0745
• Residual factor for significantly intense reflections: 0.0601
• Weighted residual factors for significantly intense reflections: 0.1591
• Weighted residual factors for all reflections included in the refinement: 0.1704
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No