Information card for entry 7250752

Structure parameters

• Formula: C48 H46 O6
• Calculated formula: C48 H46 O6
• Title of publication: Lewis acid-promoted intramolecular cyclization of ortho-prenylated chalcones: application to first total synthesis of (±) involucrasin C and its novel analogues
• Authors of publication: Ahamad, Jarish; Khatua, Rashmi Ranjan; Khan, Faiz Ahmed
• Journal of publication: RSC Advances
• Year of publication: 2025
• Journal volume: 15
• Journal issue: 33
• Pages of publication: 27254 - 27259
• a: 5.9062 ± 0.0008 Å
• b: 14.2368 ± 0.0019 Å
• c: 23.85 ± 0.003 Å
• α: 104.078 ± 0.005°
• β: 95.959 ± 0.005°
• γ: 95.907 ± 0.005°
• Cell volume: 1917.5 ± 0.4 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.154
• Residual factor for significantly intense reflections: 0.0565
• Weighted residual factors for significantly intense reflections: 0.1164
• Weighted residual factors for all reflections included in the refinement: 0.1589
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No