Information card for entry 4510120

Structure parameters

• Formula: C30 H37 I5 N4 O4 S2
• Calculated formula: C30 H37 I5 N4 O4 S2
• SMILES: [I-]([I]I)[I]I.S(=O)(=O)(Nc1[nH+]c(ccc1)C)c1c(cc(cc1C)C)C.S(=O)(=O)(N=c1[nH]c(ccc1)C)c1c(cc(cc1C)C)C
• Title of publication: N-(6-Methyl-2-pyridyl)mesitylenesulfonamide: An Efficient Template for Polyiodides
• Authors of publication: Pan, Fangfang; Englert, Ulli
• Journal of publication: Crystal Growth & Design
• Year of publication: 2014
• Journal volume: 14
• Journal issue: 3
• Pages of publication: 1057
• a: 16.9768 ± 0.0014 Å
• b: 6.0927 ± 0.0005 Å
• c: 25.167 ± 0.0015 Å
• α: 90°
• β: 132.421 ± 0.003°
• γ: 90°
• Cell volume: 1921.7 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 c 1
• Hall space group symbol: P -2yc
• Residual factor for all reflections: 0.0895
• Residual factor for significantly intense reflections: 0.0578
• Weighted residual factors for significantly intense reflections: 0.0769
• Weighted residual factors for all reflections included in the refinement: 0.0874
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No