Information card for entry 4503281

Structure parameters

• Common name: [1]2[4]
• Formula: C36 H32 N2 O8
• Calculated formula: C36 H32 N2 O8
• SMILES: o1c2ccc(O)cc2c(=O)c(O)c1c1ccccc1.o1c2ccc(O)cc2c(=O)c(O)c1c1ccccc1.N12CCN(CC1)CC2
• Title of publication: Assembling Extended Structures with Flavonoids
• Authors of publication: Timmons, Daren J.; Pacheco, Matthew R.; Fricke, Kyle A.; Slebodnick, Carla
• Journal of publication: Crystal Growth & Design
• Year of publication: 2008
• Journal volume: 8
• Journal issue: 8
• Pages of publication: 2765
• a: 9.3297 ± 0.001 Å
• b: 11.0816 ± 0.0014 Å
• c: 14.6701 ± 0.0017 Å
• α: 91.488 ± 0.01°
• β: 100.609 ± 0.009°
• γ: 98.19 ± 0.01°
• Cell volume: 1473.5 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0989
• Residual factor for significantly intense reflections: 0.0552
• Weighted residual factors for significantly intense reflections: 0.1385
• Weighted residual factors for all reflections included in the refinement: 0.1613
• Goodness-of-fit parameter for all reflections included in the refinement: 0.964
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No