Information card for entry 7222973

Structure parameters

• Common name: Hamada_FK87_02_06_14
• Chemical name: 4w
• Formula: C28 H20 Br N5 O5 S
• Calculated formula: C28 H20 Br N5 O5 S
• Title of publication: Microwave-Assisted Synthesis in Water: First one-pot Synthesis of A novel Class of Polysubstituted Benzo[4,5]imidazo[1,2-b]pyridazines via Intramolecular SNAr
• Authors of publication: Behbehani, Haider; Ibrahim, Hamada Mohamed
• Journal of publication: RSC Adv.
• Year of publication: 2015
• a: 17.8147 ± 0.0008 Å
• b: 7.4508 ± 0.0005 Å
• c: 21.5768 ± 0.0011 Å
• α: 90°
• β: 108.369 ± 0.003°
• γ: 90°
• Cell volume: 2718 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0721
• Residual factor for significantly intense reflections: 0.0444
• Weighted residual factors for significantly intense reflections: 0.1082
• Weighted residual factors for all reflections included in the refinement: 0.1241
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No