Information card for entry 4033669

Structure parameters

• Formula: C32 H30 O5
• Calculated formula: C32 H30 O5
• Title of publication: Total Synthesis of (±)-Brazilin using a [4+1] Palladium-Catalyzed Carbenylative Annulation.
• Authors of publication: Arredondo, Vanessa; Roa, Daniel E.; Gutman, Eugene S.; Huynh, Nancy O.; Van Vranken, David L.
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2019
• a: 19.682 ± 0.006 Å
• b: 5.2523 ± 0.0017 Å
• c: 25.856 ± 0.008 Å
• α: 90°
• β: 112.28 ± 0.005°
• γ: 90°
• Cell volume: 2473.3 ± 1.3 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 3
• 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: 0.0778
• Residual factor for significantly intense reflections: 0.0437
• Weighted residual factors for significantly intense reflections: 0.0846
• Weighted residual factors for all reflections included in the refinement: 0.0967
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No