Information card for entry 4328990

Structure parameters

• Formula: C26 H42 I2 N8 O6
• Calculated formula: C26 H42 I2 N8 O6
• SMILES: C1CNC(=O)c2cccc(n2)C(=O)NCC[N+](CCNC(=O)c2cccc(n2)C(=O)NCC[N+]1(C)C)(C)C.[I-].[I-].O.O
• Title of publication: Influence of Charge on Anion Receptivity in Amide-Based Macrocycles
• Authors of publication: Md. Alamgir Hossain; Sung Ok Kang; Jerry Alan Kut; Victor W. Day; Kristin Bowman-James
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 4833 - 4840
• a: 7.1904 ± 0.0004 Å
• b: 11.4396 ± 0.0006 Å
• c: 20.2455 ± 0.001 Å
• α: 90°
• β: 90.681 ± 0.002°
• γ: 90°
• Cell volume: 1665.18 ± 0.15 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for all reflections: 0.03
• Residual factor for significantly intense reflections: 0.0281
• Weighted residual factors for significantly intense reflections: 0.0726
• Weighted residual factors for all reflections included in the refinement: 0.0738
• Goodness-of-fit parameter for all reflections included in the refinement: 0.973
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No