Information card for entry 7132884

Structure parameters

• Formula: C18 H13 N O3
• Calculated formula: C18 H13 N O3
• SMILES: O1c2ccccc2[C@@H]2[C@H]1[C@H]1[C@@H]2C(=O)N(C1=O)c1ccccc1.O1c2ccccc2[C@H]2[C@@H]1[C@@H]1[C@H]2C(=O)N(C1=O)c1ccccc1
• Title of publication: Construction of cyclobutane-fused tetracyclic skeletons <i>via</i> substrate-dependent EnT-enabled dearomative [2+2] cycloaddition of benzofurans (benzothiophenes)/maleimides.
• Authors of publication: Liao, Zhi-Yu; Gao, Fan; Ye, Yu-Hang; Yu, Qian-Hui; Yang, Cui; Luo, Qing-Yu; Du, Fei; Pan, Bin; Zhong, Wen-Wu; Liang, Wu
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2024
• Journal volume: 60
• Journal issue: 33
• Pages of publication: 4455 - 4458
• a: 11.248 ± 0.0001 Å
• b: 11.9893 ± 0.0002 Å
• c: 21.1722 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2855.19 ± 0.06 ų
• Cell temperature: 292.37 ± 0.1 K
• Ambient diffraction temperature: 292.37 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0597
• Residual factor for significantly intense reflections: 0.0572
• Weighted residual factors for significantly intense reflections: 0.1571
• Weighted residual factors for all reflections included in the refinement: 0.1599
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No