Information card for entry 7233075

Structure parameters

• Chemical name: (6-(benzyloxy)-5-methylene-3-phenyl-5,6-dihydropyridazin-1(4H)-yl)(phenyl)methanone
• Formula: C25 H22 N2 O2
• Calculated formula: C25 H22 N2 O2
• Title of publication: Synthesis of 1,4,5,6-tetrahydropyridazines and pyridazines via transition-metal-free (4 + 2) cycloaddition of alkoxyallenes with 1,2-diaza-1,3-dienes
• Authors of publication: Wu, Qi; Shao, Pan-Lin; He, Yun
• Journal of publication: RSC Advances
• Year of publication: 2019
• Journal volume: 9
• Journal issue: 37
• Pages of publication: 21507
• a: 10.3661 ± 0.0005 Å
• b: 10.1971 ± 0.0005 Å
• c: 19.6351 ± 0.0009 Å
• α: 90°
• β: 98.776 ± 0.005°
• γ: 90°
• Cell volume: 2051.21 ± 0.17 ų
• Cell temperature: 292 ± 2 K
• Ambient diffraction temperature: 292 ± 2 K
• Number of distinct elements: 4
• 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: 0.0916
• Residual factor for significantly intense reflections: 0.0574
• Weighted residual factors for significantly intense reflections: 0.1259
• Weighted residual factors for all reflections included in the refinement: 0.1517
• Goodness-of-fit parameter for all reflections included in the refinement: 1.101
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No