Information card for entry 4519233

Structure parameters

• Formula: C31 H30 O
• Calculated formula: C31 H30 O
• SMILES: c1(C)c2[C@H](c3ccccc3)[C@@]3(C)[C@@H](C)C[C@@](C3)(c3ccccc3)c2c(c2ccccc2)o1
• 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: 11.666 ± 0.004 Å
• b: 13.404 ± 0.005 Å
• c: 14.893 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2328.8 ± 1.5 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 3
• 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: 0.0614
• Residual factor for significantly intense reflections: 0.0442
• Weighted residual factors for significantly intense reflections: 0.1
• Weighted residual factors for all reflections included in the refinement: 0.1083
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No