Information card for entry 7150236

Structure parameters

• Formula: C16 H34 I7 N5
• Calculated formula: C16 H34 I7 N5
• SMILES: [I-](I)I.[I-].[I-].[I-].[I-].[NH2+]1Cc2cc(ccc2)C[NH2+]CC[NH2+]CC[NH2+]CC[NH2+]CC1
• Title of publication: Polyaza metacyclophanes as ditopic anion receptors.
• Authors of publication: Ilioudis, Christos A.; Steed, Jonathan W.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2005
• Journal volume: 3
• Journal issue: 16
• Pages of publication: 2935 - 2945
• a: 33.7945 ± 0.0018 Å
• b: 11.5702 ± 0.0008 Å
• c: 15.8028 ± 0.0009 Å
• α: 90°
• β: 103.859 ± 0.005°
• γ: 90°
• Cell volume: 5999.1 ± 0.6 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.133
• Residual factor for significantly intense reflections: 0.0555
• Weighted residual factors for significantly intense reflections: 0.1082
• Weighted residual factors for all reflections included in the refinement: 0.1306
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No