Information card for entry 4510118

Structure parameters

• Formula: C33 H40 I5 N4 O4 S2
• Calculated formula: C33 H40 I5 N4 O4 S2
• 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: 25.3481 ± 0.0018 Å
• b: 5.9873 ± 0.0004 Å
• c: 28.34 ± 0.002 Å
• α: 90°
• β: 105.553 ± 0.001°
• γ: 90°
• Cell volume: 4143.6 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0651
• Residual factor for significantly intense reflections: 0.0432
• Weighted residual factors for significantly intense reflections: 0.0896
• Weighted residual factors for all reflections included in the refinement: 0.1012
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No