Information card for entry 4519232

Structure parameters

• Formula: C35 H30 O
• Calculated formula: C35 H30 O
• SMILES: o1c(c2[C@@]3(C[C@@]([C@H](c4ccccc4)c2c1C)(C)C(=C3)C)c1cc2c(cccc2)cc1)c1ccccc1.o1c(c2[C@]3(C[C@]([C@@H](c4ccccc4)c2c1C)(C)C(=C3)C)c1cc2c(cccc2)cc1)c1ccccc1
• Title of publication: Gold(I)-Catalyzed Highly Diastereo- and Enantioselective Constructions of Bicyclo[3.2.1]oct-6-ene Frameworks via (4 + 3)-Cycloadditions
• Authors of publication: Tanpure, Sudhakar Dattatray; Kuo, Tung-Chun; Cheng, Mu-Jeng; Liu, Rai-Shung
• Journal of publication: ACS Catalysis
• Year of publication: 2021
• Pages of publication: 536 - 543
• a: 8.2675 ± 0.0006 Å
• b: 22.137 ± 0.0016 Å
• c: 13.9373 ± 0.001 Å
• α: 90°
• β: 94.199 ± 0.003°
• γ: 90°
• Cell volume: 2543.9 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0603
• Residual factor for significantly intense reflections: 0.0414
• Weighted residual factors for significantly intense reflections: 0.0942
• Weighted residual factors for all reflections included in the refinement: 0.1042
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No