Information card for entry 4507360

Structure parameters

• Formula: C47 H68 N11 O11
• Calculated formula: C47 H68 N11 O11
• Title of publication: Positional Isomeric Effect in Nitrophenyl Functionalized Tripodal Urea Receptors toward Binding and Encapsulation of Anions
• Authors of publication: Chutia, Romen; Dey, Sandeep Kumar; Das, Gopal
• Journal of publication: Crystal Growth & Design
• Year of publication: 2013
• Journal volume: 13
• Journal issue: 2
• Pages of publication: 883
• a: 12.8426 ± 0.0011 Å
• b: 14.3533 ± 0.0012 Å
• c: 14.6146 ± 0.0012 Å
• α: 90.561 ± 0.004°
• β: 103.049 ± 0.007°
• γ: 95.773 ± 0.002°
• Cell volume: 2609.6 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.1177
• Residual factor for significantly intense reflections: 0.0549
• Weighted residual factors for significantly intense reflections: 0.1367
• Weighted residual factors for all reflections included in the refinement: 0.1546
• Goodness-of-fit parameter for all reflections included in the refinement: 0.99
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No