Information card for entry 2015047

Structure parameters

• Chemical name: 2-iodo-N-(2-nitrobenzylidene)aniline
• Formula: C52 H36 I4 N8 O8
• Calculated formula: C52 H36 I4 N8 O8
• Title of publication: Solvent-dependent polymorphism in isomeric <i>N</i>-(nitrobenzylidene)iodoanilines
• Authors of publication: Ferguson, George; Glidewell, Christopher; Low, John N.; Skakle, Janet M. S.; Wardell, James L.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 7
• Pages of publication: o445 - o449
• a: 22.4142 ± 0.0015 Å
• b: 3.8614 ± 0.0002 Å
• c: 14.6957 ± 0.001 Å
• α: 90°
• β: 107.423 ± 0.003°
• γ: 90°
• Cell volume: 1213.56 ± 0.13 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• 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: 0.0544
• Residual factor for significantly intense reflections: 0.0433
• Weighted residual factors for significantly intense reflections: 0.1034
• Weighted residual factors for all reflections included in the refinement: 0.1071
• Goodness-of-fit parameter for all reflections included in the refinement: 1.152
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes