Information card for entry 7156445

Structure parameters

• Formula: C31 H23 N O5
• Calculated formula: C31 H23 N O5
• Title of publication: Visible light catalyzed reaction of α-bromochalcones with chalcones: direct access to the urundeuvine scaffold.
• Authors of publication: Karki, Bhupal Singh; Pramanik, Mukund M. D.; Kant, Ruchir; Rastogi, Namrata
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2018
• Journal volume: 16
• Journal issue: 39
• Pages of publication: 7152 - 7156
• a: 13.541 ± 0.008 Å
• b: 9.928 ± 0.006 Å
• c: 20.222 ± 0.015 Å
• α: 90°
• β: 90.67 ± 0.014°
• γ: 90°
• Cell volume: 2718 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.2578
• Residual factor for significantly intense reflections: 0.0936
• Weighted residual factors for significantly intense reflections: 0.2429
• Weighted residual factors for all reflections included in the refinement: 0.2884
• Goodness-of-fit parameter for all reflections included in the refinement: 0.859
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No