Information card for entry 4024372

Structure parameters

• Formula: C44 H30
• Calculated formula: C44 H30
• SMILES: C1(=C(c2ccc(c3c(c4ccc(cc4)c4c(cccc4)c4ccc1cc4)cccc3)cc2)c1ccccc1)c1ccccc1
• Title of publication: A Versatile Synthesis of Electroactive Stilbenoprismands for Effective Binding of Metal Cations
• Authors of publication: Paromita Debroy; Sergey V. Lindeman; Rajendra Rathore
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2009
• Journal volume: 74
• Pages of publication: 2080 - 2087
• a: 13.4025 ± 0.0003 Å
• b: 14.1016 ± 0.0003 Å
• c: 32.0118 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6050.1 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 2
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0321
• Residual factor for significantly intense reflections: 0.0285
• Weighted residual factors for significantly intense reflections: 0.0753
• Weighted residual factors for all reflections included in the refinement: 0.0775
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No