Information card for entry 7054368

Structure parameters

• Formula: C23 H24 I2 N6
• Calculated formula: C23 H24 I2 N6
• SMILES: [I-].[I-].N12Cc3c(N(C1)Cc1c2c([n+]2cn(C)cc2)ccc1)c(n1cc[n+](C)c1)ccc3
• Title of publication: Facile access to imidazole and imidazolium substituted dibenzo-diazocines
• Authors of publication: Sathyanarayana, Arruri; Prabusankar, Ganesan
• Journal of publication: New Journal of Chemistry
• Year of publication: 2014
• Journal volume: 38
• Journal issue: 8
• Pages of publication: 3613
• a: 10.93 ± 0.0002 Å
• b: 16.8443 ± 0.0003 Å
• c: 14.0472 ± 0.0003 Å
• α: 90°
• β: 107.695 ± 0.003°
• γ: 90°
• Cell volume: 2463.85 ± 0.09 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298.15 K
• Number of distinct elements: 4
• 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: 0.060348
• Residual factor for significantly intense reflections: 0.05204
• Weighted residual factors for all reflections included in the refinement: 0.142201
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04529
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Duplicate of: 7054206
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No