Information card for entry 1514357

Structure parameters

• Formula: C34 H28 O4
• Calculated formula: C34 H28 O4
• SMILES: O([C@]1(C(=C/c2ccccc2)\C(=C(/OC(=O)C)c2ccccc2)[C@@H]1c1ccccc1)c1ccccc1)C(=O)C.O([C@@]1(C(=C/c2ccccc2)\C(=C(/OC(=O)C)c2ccccc2)[C@H]1c1ccccc1)c1ccccc1)C(=O)C
• Title of publication: Ambient Intermolecular [2 + 2] Cycloaddition: An Example of Carbophilicity and Oxophilicity Competition in Au/Ag Catalysis.
• Authors of publication: Su, Yijin; Zhang, Yanwei; Akhmedov, Novruz G.; Petersen, Jeffrey L.; Shi, Xiaodong
• Journal of publication: Organic letters
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 9
• Pages of publication: 2478 - 2481
• a: 9.3001 ± 0.0006 Å
• b: 17.6333 ± 0.0013 Å
• c: 16.8483 ± 0.0013 Å
• α: 90°
• β: 96.205 ± 0.001°
• γ: 90°
• Cell volume: 2746.8 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1111
• Residual factor for significantly intense reflections: 0.0503
• Weighted residual factors for significantly intense reflections: 0.1188
• Weighted residual factors for all reflections included in the refinement: 0.1469
• Goodness-of-fit parameter for all reflections included in the refinement: 0.997
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No