Information card for entry 4129965

Structure parameters

• Formula: C26 H21 N O3
• Calculated formula: C26 H21 N O3
• SMILES: O=C1N(c2ccc(cc2)C)C(=O)[C@H]2C3(c4ccccc4C(c4c3cccc4)[C@@H]12)CO.O=C1N(c2ccc(cc2)C)C(=O)[C@@H]2C3(c4ccccc4C(c4c3cccc4)[C@H]12)CO
• Title of publication: Urea-Functionalized Self-Assembled Molecular Prism for Heterogeneous Catalysis in Water.
• Authors of publication: Howlader, Prodip; Das, Paramita; Zangrando, Ennio; Mukherjee, Partha Sarathi
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2016
• Journal volume: 138
• Journal issue: 5
• Pages of publication: 1668 - 1676
• a: 8.908 ± 0.003 Å
• b: 9.384 ± 0.003 Å
• c: 13.422 ± 0.005 Å
• α: 108.421 ± 0.009°
• β: 103.935 ± 0.009°
• γ: 98.091 ± 0.01°
• Cell volume: 1004.1 ± 0.6 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 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: 0.079
• Residual factor for significantly intense reflections: 0.0458
• Weighted residual factors for significantly intense reflections: 0.1037
• Weighted residual factors for all reflections included in the refinement: 0.1213
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No