Information card for entry 7157782

Structure parameters

• Formula: C33 H32 Br N O6
• Calculated formula: C33 H32 Br N O6
• Title of publication: Stereoselective formal [3 + 3] annulation of 3-alkylidene-2-oxindoles with β,γ-unsaturated α-keto esters.
• Authors of publication: Jaiswal, Manish K.; Singh, Bhuvnesh; De, Shreemoyee; Singh, Neetu; Singh, Ravi P.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2020
• Journal volume: 18
• Journal issue: 48
• Pages of publication: 9852 - 9862
• a: 10.102 ± 0.0017 Å
• b: 10.4727 ± 0.0016 Å
• c: 15.726 ± 0.003 Å
• α: 104.702 ± 0.005°
• β: 94.205 ± 0.005°
• γ: 109.963 ± 0.005°
• Cell volume: 1489 ± 0.4 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1338
• Residual factor for significantly intense reflections: 0.0632
• Weighted residual factors for significantly intense reflections: 0.1723
• Weighted residual factors for all reflections included in the refinement: 0.2137
• Goodness-of-fit parameter for all reflections included in the refinement: 0.935
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No