Information card for entry 7131577

Structure parameters

• Formula: C30 H28 N2 O2
• Calculated formula: C30 H28 N2 O2
• SMILES: C1(=O)C(=CC(c2c(cc(c3ccccc3)o2)C)(c2ccccc2)N1Nc1ccc(cc1)CC)C
• Title of publication: Azofuran activation for annulative rearrangement enabled by gold(I)/Brønsted acid relay catalysis.
• Authors of publication: Rao, Qian; Zhang, Yin; Liu, Yin-Ping; Jiang, Bo; Wang, Xiang; Tu, Shu-Jiang; Hao, Wen-Juan
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2023
• Journal volume: 59
• Journal issue: 38
• Pages of publication: 5725 - 5728
• a: 13.824 ± 0.003 Å
• b: 19.701 ± 0.005 Å
• c: 9.478 ± 0.002 Å
• α: 90°
• β: 101.577 ± 0.004°
• γ: 90°
• Cell volume: 2528.8 ± 1 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: 0.0945
• Residual factor for significantly intense reflections: 0.0545
• Weighted residual factors for significantly intense reflections: 0.1489
• Weighted residual factors for all reflections included in the refinement: 0.1719
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No