Information card for entry 1503087

Structure parameters

• Formula: C24 H26 O2
• Calculated formula: C24 H26 O2
• SMILES: O=C([C@H]1[C@@H]([C@@H]([C@@H](C(=C1C)C)C)C(=O)c1ccccc1)C)c1ccccc1.O=C([C@@H]1[C@H]([C@H]([C@H](C(=C1C)C)C)C(=O)c1ccccc1)C)c1ccccc1
• Title of publication: Nickel-catalyzed [2 + 2 + 2] cycloaddition of two enones and an alkyne.
• Authors of publication: Ogoshi, Sensuke; Nishimura, Akira; Ohashi, Masato
• Journal of publication: Organic letters
• Year of publication: 2010
• Journal volume: 12
• Journal issue: 15
• Pages of publication: 3450 - 3452
• a: 10.2808 ± 0.0003 Å
• b: 15.2707 ± 0.0005 Å
• c: 12.1045 ± 0.0004 Å
• α: 90°
• β: 95.07 ± 0.002°
• γ: 90°
• Cell volume: 1892.91 ± 0.1 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.0752
• Residual factor for significantly intense reflections: 0.0509
• Weighted residual factors for significantly intense reflections: 0.1148
• Weighted residual factors for all reflections included in the refinement: 0.1421
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 1.54186 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No