Information card for entry 1552996

Structure parameters

• Formula: C31 H22 O
• Calculated formula: C31 H22 O
• SMILES: O=C(c1ccccc1)c1ccccc1/C(=C\c1cccc2ccccc12)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: 11.2685 ± 0.0019 Å
• b: 9.1961 ± 0.0015 Å
• c: 20.509 ± 0.004 Å
• α: 90°
• β: 92.368 ± 0.006°
• γ: 90°
• Cell volume: 2123.5 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.1103
• Residual factor for significantly intense reflections: 0.0614
• Weighted residual factors for significantly intense reflections: 0.1395
• Weighted residual factors for all reflections included in the refinement: 0.1581
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No