Information card for entry 7123321

Structure parameters

• Formula: C29 H22 N2 O
• Calculated formula: C29 H22 N2 O
• Title of publication: Rh(I)-Catalyzed [3+2] Annulation Reactions of Cyclopropenones with Amides
• Authors of publication: Haito, Akira; Chatani, Naoto
• Journal of publication: Chemical Communications
• Year of publication: 2019
• a: 9.8127 ± 0.0003 Å
• b: 9.8576 ± 0.0003 Å
• c: 12.3569 ± 0.0004 Å
• α: 95.274 ± 0.003°
• β: 96.148 ± 0.003°
• γ: 115.124 ± 0.003°
• Cell volume: 1063.36 ± 0.07 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0457
• Residual factor for significantly intense reflections: 0.0426
• Weighted residual factors for significantly intense reflections: 0.1133
• Weighted residual factors for all reflections included in the refinement: 0.1159
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No