Information card for entry 4072102

Structure parameters

• Formula: C25 H24 O4
• Calculated formula: C25 H24 O4
• SMILES: O(C)C(=O)C1(C(=O)OC)[C@H]2CCC=C[C@H]3c4ccc5ccccc5c4C=C([C@@H]23)C1.O(C)C(=O)C1(C(=O)OC)[C@@H]2CCC=C[C@@H]3c4ccc5ccccc5c4C=C([C@H]23)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: 14.7813 ± 0.0007 Å
• b: 7.3153 ± 0.0003 Å
• c: 17.9908 ± 0.0012 Å
• α: 90°
• β: 93.613 ± 0.002°
• γ: 90°
• Cell volume: 1941.47 ± 0.18 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.166
• Residual factor for significantly intense reflections: 0.0771
• Weighted residual factors for significantly intense reflections: 0.1713
• Weighted residual factors for all reflections included in the refinement: 0.2439
• Goodness-of-fit parameter for all reflections included in the refinement: 0.993
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No