Information card for entry 7152788

Structure parameters

• Formula: C24 H13 Br O3
• Calculated formula: C24 H13 Br O3
• SMILES: C1(=O)c2ccccc2C(=O)c2c1oc(c2c1ccc(cc1)Br)c1ccccc1
• Title of publication: A versatile and practical method for regioselective synthesis of polysubstituted furanonaphthoquinones.
• Authors of publication: Wu, Zong-Ze; Jang, Yeong-Jiunn; Lee, Chia-Jui; Lee, Yen-Te; Lin, Wenwei
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2013
• Journal volume: 11
• Journal issue: 5
• Pages of publication: 828 - 834
• a: 7.8383 ± 0.0003 Å
• b: 10.9083 ± 0.0004 Å
• c: 12.0674 ± 0.0006 Å
• α: 112.907 ± 0.002°
• β: 101.682 ± 0.002°
• γ: 94.195 ± 0.003°
• Cell volume: 917.43 ± 0.07 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0917
• Residual factor for significantly intense reflections: 0.0589
• Weighted residual factors for significantly intense reflections: 0.1655
• Weighted residual factors for all reflections included in the refinement: 0.1981
• Goodness-of-fit parameter for all reflections included in the refinement: 1.111
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No