Information card for entry 7226217

Structure parameters

• Formula: C24 H19 Br N4 O2
• Calculated formula: C24 H19 Br N4 O2
• Title of publication: Phosphine-Catalyzed [3+2] Cycloaddition of Phthalazinium Dicyanomethanides with Allenoates: Highly Efficient Synthesis of 1,2,3,10b-Tetrahydropyrrolo[2,1-a]phthalazine Derivatives
• Authors of publication: Guo, Hongchao; Zhou, Leijie; Sun, Zhanhu; Yuan, Chunhao
• Journal of publication: RSC Adv.
• Year of publication: 2016
• a: 8.775 ± 0.002 Å
• b: 16.891 ± 0.003 Å
• c: 14.538 ± 0.004 Å
• α: 90°
• β: 93.444 ± 0.003°
• γ: 90°
• Cell volume: 2150.9 ± 0.9 ų
• Cell temperature: 173.15 K
• Ambient diffraction temperature: 173.15 K
• Number of distinct elements: 5
• 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: 0.0622
• Residual factor for significantly intense reflections: 0.0504
• Weighted residual factors for significantly intense reflections: 0.1064
• Weighted residual factors for all reflections included in the refinement: 0.113
• Goodness-of-fit parameter for all reflections included in the refinement: 1.184
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No