Information card for entry 7124611

Structure parameters

• Formula: C29 H27 N3 O3
• Calculated formula: C29 H27 N3 O3
• Title of publication: Copper catalyzed aerobic oxidative cyclization and ketonization: one pot synthesis of benzoimidazo[1,2-a]imidazolones.
• Authors of publication: Selvaraju, Manikandan; Ye, Tzuen-Yang; Li, Chia-Hsin; Ho, Pei-Heng; Sun, Chung-Ming
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2016
• Journal volume: 52
• Journal issue: 39
• Pages of publication: 6621 - 6624
• a: 17.181 ± 0.002 Å
• b: 26.757 ± 0.003 Å
• c: 21.323 ± 0.003 Å
• α: 90°
• β: 96.526 ± 0.004°
• γ: 90°
• Cell volume: 9739 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.2285
• Residual factor for significantly intense reflections: 0.0937
• Weighted residual factors for significantly intense reflections: 0.2148
• Weighted residual factors for all reflections included in the refinement: 0.3196
• Goodness-of-fit parameter for all reflections included in the refinement: 0.979
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No