Information card for entry 1554732

Structure parameters

• Formula: C32 H21 Br O2
• Calculated formula: C32 H21 Br O2
• SMILES: Brc1c(c2c3c(c4c(ccc(C)c4)o3)c(c(c2)c2ccccc2)C(=O)c2ccccc2)cccc1
• 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: 10.602 ± 0.0012 Å
• b: 20.505 ± 0.002 Å
• c: 12.2951 ± 0.0013 Å
• α: 90°
• β: 114.94 ± 0.003°
• γ: 90°
• Cell volume: 2423.6 ± 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0894
• Residual factor for significantly intense reflections: 0.0454
• Weighted residual factors for significantly intense reflections: 0.0939
• Weighted residual factors for all reflections included in the refinement: 0.1076
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No