Information card for entry 7132413

Structure parameters

• Formula: C30 H26 O2
• Calculated formula: C30 H26 O2
• SMILES: O=C(c1ccccc1)[C@@H]1[C@@](O)(C[C@@H]([C@H]1c1ccccc1)c1ccccc1)c1ccccc1.O=C(c1ccccc1)[C@H]1[C@](O)(C[C@H]([C@@H]1c1ccccc1)c1ccccc1)c1ccccc1
• Title of publication: Reductive cyclodimerization of chalcones: exploring the "self-adaptability" of galvanostatic electrosynthesis.
• Authors of publication: Garbini, Mauro; Brunetti, Andrea; Pedrazzani, Riccardo; Monari, Magda; Marcaccio, Massimo; Bertuzzi, Giulio; Bandini, Marco
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2024
• Journal volume: 60
• Journal issue: 4
• Pages of publication: 404 - 407
• a: 6.0915 ± 0.0003 Å
• b: 10.7543 ± 0.0004 Å
• c: 17.1562 ± 0.0008 Å
• α: 100.087 ± 0.003°
• β: 92.581 ± 0.003°
• γ: 102.264 ± 0.002°
• Cell volume: 1077.32 ± 0.08 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0659
• Residual factor for significantly intense reflections: 0.054
• Weighted residual factors for significantly intense reflections: 0.155
• Weighted residual factors for all reflections included in the refinement: 0.167
• Goodness-of-fit parameter for all reflections included in the refinement: 1.258
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No