Information card for entry 7054203

Structure parameters

• Formula: C21 H20 N6 O
• Calculated formula: C21 H20 N6 O
• SMILES: c1nccn1c1cccc2CN3c4c(CN(c12)C3)cccc4n1cncc1.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: 12.8104 ± 0.0004 Å
• b: 9.7998 ± 0.0002 Å
• c: 15.3326 ± 0.0004 Å
• α: 90°
• β: 113.436 ± 0.003°
• γ: 90°
• Cell volume: 1766.05 ± 0.09 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150.15 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: 0.044808
• Residual factor for significantly intense reflections: 0.040048
• Weighted residual factors for all reflections included in the refinement: 0.107918
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0528
• Diffraction radiation wavelength: 1.54184 Å
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No