Information card for entry 1540580

Structure parameters

• Formula: C34 H30 O2
• Calculated formula: C34 H30 O2
• SMILES: O=C([C@H]1C(=C([C@@H]([C@@H]([C@@H]1C)C(=O)c1ccccc1)C)c1ccccc1)c1ccccc1)c1ccccc1
• Title of publication: Nickel(0)/N-Heterocyclic Carbene-Catalyzed Asymmetric [2 + 2 + 2] Cycloaddition of Two Enones and an Alkyne: Access to Cyclohexenes with Four Contiguous Stereogenic Centers.
• Authors of publication: Kumar, Ravindra; Tokura, Hiromu; Nishimura, Akira; Mori, Tadashi; Hoshimoto, Yoichi; Ohashi, Masato; Ogoshi, Sensuke
• Journal of publication: Organic letters
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 24
• Pages of publication: 6018 - 6021
• a: 26.2091 ± 0.0005 Å
• b: 26.2091 ± 0.0005 Å
• c: 6.7076 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 3990.3 ± 0.3 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 3
• Space group number: 170
• Hermann-Mauguin space group symbol: P 65
• Hall space group symbol: P 65
• Residual factor for all reflections: 0.0568
• Residual factor for significantly intense reflections: 0.0451
• Weighted residual factors for significantly intense reflections: 0.0852
• Weighted residual factors for all reflections included in the refinement: 0.0892
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No