Information card for entry 4503284

Structure parameters

• Common name: [2]2[4]3
• Formula: C48 H56 N6 O14
• Calculated formula: C48 H56 N6 O14
• SMILES: c1(c(c(=O)c2c(cc(cc2o1)O)O)O)c1cc(c(cc1)O)O.c1(c(c(c2c(cc(cc2o1)O)O)=O)O)c1cc(c(cc1)O)O.C1CN2CCN1CC2.C1CN2CCN1CC2.C1CN2CCN1CC2
• 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: 11.94 ± 0.03 Å
• b: 12.84 ± 0.04 Å
• c: 15.99 ± 0.02 Å
• α: 98.57 ± 0.17°
• β: 91.47 ± 0.15°
• γ: 116.7 ± 0.3°
• Cell volume: 2154 ± 11 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: 0.2093
• Residual factor for significantly intense reflections: 0.0549
• Weighted residual factors for significantly intense reflections: 0.085
• Weighted residual factors for all reflections included in the refinement: 0.1154
• Goodness-of-fit parameter for all reflections included in the refinement: 0.521
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No