Information card for entry 1520393

Structure parameters

• Formula: C18 H28 I2 N4 O2
• Calculated formula: C18 H28 I2 N4 O2
• Title of publication: C18H28I2N4O2
• Authors of publication: Dervisi, A.; Callear, Samantha K.; Hursthouse, Michael B.
• Journal of publication: Crystal Structure Report Archive
• Year of publication: 2009
• Pages of publication: 658
• a: 8.9301 ± 0.0002 Å
• b: 10.8793 ± 0.0002 Å
• c: 23.2605 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2259.83 ± 0.08 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0374
• Residual factor for significantly intense reflections: 0.0313
• Weighted residual factors for significantly intense reflections: 0.0689
• Weighted residual factors for all reflections included in the refinement: 0.0723
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No