Information card for entry 7129285

Structure parameters

• Formula: C25 H24 Br N O5
• Calculated formula: C25 H24 Br N O5
• Title of publication: Rh(III)-Catalyzed Diastereoselective Cascade Annulation of Enone-Tethered Cyclohexadienones via a C(sp2)−H Bond Activation
• Authors of publication: Jadhav, Sandip B.; Maurya, Sundaram; Navaneetha, N.; Chegondi, Rambabu
• Journal of publication: Chemical Communications
• Year of publication: 2021
• a: 12.333 ± 0.005 Å
• b: 13.046 ± 0.005 Å
• c: 15.25 ± 0.005 Å
• α: 90°
• β: 106.607 ± 0.008°
• γ: 90°
• Cell volume: 2351.3 ± 1.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0563
• Residual factor for significantly intense reflections: 0.0354
• Weighted residual factors for significantly intense reflections: 0.087
• Weighted residual factors for all reflections included in the refinement: 0.0939
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No