Information card for entry 4072103

Structure parameters

• Formula: C24 H22 O2
• Calculated formula: C24 H22 O2
• SMILES: CC(=O)C1(C(=O)C)[C@@H]2CC=C[C@H]3[C@@H]2C(=Cc2c3ccc3ccccc23)C1.CC(=O)C1(C(=O)C)[C@H]2CC=C[C@@H]3[C@H]2C(=Cc2c3ccc3ccccc23)C1
• Title of publication: Facile Synthesis of Carbotetracycles via Gold(I)-Catalyzed Cyclization of Unactivated Cyclic 1-Aryl-6,8-dien-1-ynes
• Authors of publication: Yeh, Ming-Chang P.; Tsao, Wen-Cheng; Lee, Bo-Jen; Lin, Tzu-Ling
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 20
• Pages of publication: 5326
• a: 7.6847 ± 0.0012 Å
• b: 9.6434 ± 0.0012 Å
• c: 25.397 ± 0.005 Å
• α: 84.277 ± 0.005°
• β: 78.835 ± 0.005°
• γ: 89.807 ± 0.009°
• Cell volume: 1837 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.3048
• Residual factor for significantly intense reflections: 0.1458
• Weighted residual factors for significantly intense reflections: 0.3277
• Weighted residual factors for all reflections included in the refinement: 0.4467
• Goodness-of-fit parameter for all reflections included in the refinement: 1.095
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No