Information card for entry 7128263

Structure parameters

• Formula: C27 H19 Br O2
• Calculated formula: C27 H19 Br O2
• SMILES: Brc1ccc(C(=C)/C=C(\CC(=O)c2cc3c4ccccc4ccc3cc2)C=O)cc1
• Title of publication: An expedient synthesis of highly functionalized 1,3-dienes by employing cyclopropenes as <i>C</i>₄ units.
• Authors of publication: Jiang, Chengzhou; Wu, Jiamin; Han, Jiabin; Chen, Kai; Qian, Yang; Zhang, Zhengyu; Jiang, Yaojia
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2021
• Journal volume: 57
• Journal issue: 46
• Pages of publication: 5710 - 5713
• a: 14.3651 ± 0.0012 Å
• b: 10.7385 ± 0.001 Å
• c: 13.3772 ± 0.0013 Å
• α: 90°
• β: 94.475 ± 0.006°
• γ: 90°
• Cell volume: 2057.3 ± 0.3 ų
• Cell temperature: 300 ± 2 K
• Ambient diffraction temperature: 300 ± 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: 0.1379
• Residual factor for significantly intense reflections: 0.0868
• Weighted residual factors for significantly intense reflections: 0.1579
• Weighted residual factors for all reflections included in the refinement: 0.1735
• Goodness-of-fit parameter for all reflections included in the refinement: 1.185
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No