Information card for entry 7158850

Structure parameters

• Formula: C23 H20
• Calculated formula: C23 H20
• SMILES: c12c(ccc(c1C(=Cc1c(C2)cccc1)c1ccccc1)C)C
• Title of publication: Assembly of 5H-dibenzo[a,d]cycloheptenes by a formal [5 + 2] annulation of ortho-aryl alkynyl benzyl alcohols with arenes
• Authors of publication: Zhang, Zhebing; Cai, Tao; Zhan, Zhaohui; Xu, Huiting; Yu, Lemao; Luo, Xiang; Li, Chunmei; Gao, Yuzhen; Wei, Xuemei; Chen, Xinzhi; Shen, Run-pu
• Journal of publication: Organic & Biomolecular Chemistry
• Year of publication: 2022
• a: 5.6689 ± 0.0001 Å
• b: 10.2755 ± 0.0001 Å
• c: 27.477 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1600.56 ± 0.04 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 2
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0365
• Residual factor for significantly intense reflections: 0.035
• Weighted residual factors for significantly intense reflections: 0.0908
• Weighted residual factors for all reflections included in the refinement: 0.0919
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No