Information card for entry 7054208

Structure parameters

• Formula: C33 H32 Cl2 N8 O
• Calculated formula: C33 H30 Cl2 N8 O
• SMILES: c1cccc(Cn2c[n+](cc2)c2cccc3c2N2CN(C3)c3c(C2)cccc3n2c[n+](cc2)Cc2ccccn2)n1.[Cl-].[Cl-].O
• 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: 8.3442 ± 0.001 Å
• b: 12.5633 ± 0.0012 Å
• c: 15.0779 ± 0.0016 Å
• α: 84.154 ± 0.008°
• β: 79.178 ± 0.01°
• γ: 87.113 ± 0.009°
• Cell volume: 1543.7 ± 0.3 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 153 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.114942
• Residual factor for significantly intense reflections: 0.072302
• Weighted residual factors for all reflections included in the refinement: 0.224077
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08965
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No