Information card for entry 1554734

Structure parameters

• Formula: C34 H25 Br O4
• Calculated formula: C34 H25 Br O4
• SMILES: Brc1ccc2c(c1)c1c(c(c3ccc(C)cc3)cc(c1C(=O)c1ccc(cc1)OC)c1ccc(cc1)OC)o2
• Title of publication: Convenient construction of dibenzo[b,d]furanes and 2,6-diaryl-4-(2-hydroxyphenyl)pyridines via domino reaction of pyridinium ylides with 2-aryl-3-nitrochromenes
• Authors of publication: Sun, Jing; Jiang, Wang; Yan, Chao-Guo
• Journal of publication: Organic Chemistry Frontiers
• Year of publication: 2019
• Journal volume: 6
• Journal issue: 9
• Pages of publication: 1428
• a: 13.3814 ± 0.001 Å
• b: 10.6318 ± 0.0008 Å
• c: 19.2274 ± 0.0016 Å
• α: 90°
• β: 92.604 ± 0.003°
• γ: 90°
• Cell volume: 2732.6 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• 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: 0.1384
• Residual factor for significantly intense reflections: 0.0531
• Weighted residual factors for significantly intense reflections: 0.1044
• Weighted residual factors for all reflections included in the refinement: 0.1301
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No