Information card for entry 4505105

Structure parameters

• Formula: C39 H32 N4 O4
• Calculated formula: C39 H32 N4 O4
• SMILES: Oc1cc(C(c2c(O)cccc2)c2c(O)cccc2)cc(O)c1.n1ccc(cc1)c1ccncc1.n1ccc(cc1)c1ccncc1
• 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: 34.238 ± 0.013 Å
• b: 12.321 ± 0.005 Å
• c: 15.762 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6649 ± 4 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 4
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0896
• Residual factor for significantly intense reflections: 0.0566
• Weighted residual factors for significantly intense reflections: 0.1165
• Weighted residual factors for all reflections included in the refinement: 0.1288
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No