Information card for entry 7219734

Structure parameters

• Common name: K6
• Formula: C53 H47 Cl2 N5 O3
• Calculated formula: C53 H47 Cl2 N5 O3
• Title of publication: Ultrasound-Assisted Regio- and Stereoselective Synthesis of Bis-[1`,4`-diaryl-1-oxo-spiro-benzosuberane-2,5`-pyrazoline] Derivatives via 1,3-Dipolar Cycloaddition
• Authors of publication: Behbehani, Haider; Ibrahim, Hamada Mohamed; Dawood, KM
• Journal of publication: RSC Adv.
• Year of publication: 2015
• a: 11.4329 ± 0.0004 Å
• b: 13.7041 ± 0.0005 Å
• c: 15.7697 ± 0.0005 Å
• α: 66.387 ± 0.002°
• β: 82.782 ± 0.002°
• γ: 89.224 ± 0.002°
• Cell volume: 2244.11 ± 0.14 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 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: 0.0589
• Residual factor for significantly intense reflections: 0.0453
• Weighted residual factors for significantly intense reflections: 0.144
• Weighted residual factors for all reflections included in the refinement: 0.1709
• Goodness-of-fit parameter for all reflections included in the refinement: 0.674
• Diffraction radiation wavelength: 1.54178 Å
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No