Information card for entry 7158054

Structure parameters

• Formula: C27 H28 O7
• Calculated formula: C27 H28 O7
• Title of publication: Bsi(OTf)₃-mediated tandem annulation of 1-aryl isochroman-3-ones with oxygenated arenes: one-pot synthesis of polyoxygenated homotriptycenes.
• Authors of publication: Chang, Meng-Yang; Lin, Chun-Yi; Chen, Shin-Mei; Hsiao, Yu-Ting
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2021
• Journal volume: 19
• Journal issue: 21
• Pages of publication: 4733 - 4742
• a: 15.2055 ± 0.0018 Å
• b: 17.986 ± 0.002 Å
• c: 8.4082 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2299.5 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.1004
• Residual factor for significantly intense reflections: 0.069
• Weighted residual factors for significantly intense reflections: 0.1332
• Weighted residual factors for all reflections included in the refinement: 0.1476
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No