Information card for entry 1552995

Structure parameters

• Formula: C32 H24 O3
• Calculated formula: C32 H24 O3
• SMILES: O(C1=C(C(C(=C1)c1ccccc1)CC(=O)c1ccccc1)c1ccccc1)C(=O)c1ccccc1
• Title of publication: Intermolecular reactions of gold(i)-carbenes with furans by related mechanisms
• Authors of publication: Lebœuf, David; Gaydou, Morgane; Wang, Yahui; Echavarren, Antonio M.
• Journal of publication: Org. Chem. Front.
• Year of publication: 2014
• Journal volume: 1
• Journal issue: 7
• Pages of publication: 759
• a: 5.5702 ± 0.0014 Å
• b: 24.243 ± 0.006 Å
• c: 17.573 ± 0.005 Å
• α: 90°
• β: 93.744 ± 0.01°
• γ: 90°
• Cell volume: 2368 ± 1.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.1013
• Residual factor for significantly intense reflections: 0.0547
• Weighted residual factors for significantly intense reflections: 0.1105
• Weighted residual factors for all reflections included in the refinement: 0.1281
• Goodness-of-fit parameter for all reflections included in the refinement: 0.986
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No