Information card for entry 7032098

Structure parameters

• Formula: C30 H47 I2 N3 O4
• Calculated formula: C30 H47 I2 N3 O4
• Title of publication: Hydrogen and halogen bonding in a concerted act of anion recognition: F(-) induced atmospheric CO2 uptake by an iodophenyl functionalized simple urea receptor.
• Authors of publication: Chutia, R.; Das, G.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 41
• Pages of publication: 15628 - 15637
• a: 23.9471 ± 0.0007 Å
• b: 8.3931 ± 0.0002 Å
• c: 17.0344 ± 0.0005 Å
• α: 90°
• β: 96.451 ± 0.001°
• γ: 90°
• Cell volume: 3402.07 ± 0.16 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0604
• Residual factor for significantly intense reflections: 0.0421
• Weighted residual factors for significantly intense reflections: 0.1107
• Weighted residual factors for all reflections included in the refinement: 0.1203
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No