Information card for entry 4103976

Structure parameters

• Formula: C22 H25 N O4
• Calculated formula: C22 H25 N O4
• SMILES: N(=O)(=O)c1ccc(C(=O)OC2=C3[C@@H]([C@@H]4[C@@]52C[C@H]5C(C)(C)C4)CCCC3)cc1.N(=O)(=O)c1ccc(C(=O)OC2=C3[C@H]([C@H]4[C@]52C[C@@H]5C(C)(C)C4)CCCC3)cc1
• Title of publication: Generation and Trapping of Cyclopentenylidene Gold Species: Four Pathways to Polycyclic Compounds
• Authors of publication: Gilles Lemière; Vincent Gandon; Kevin Cariou; Alexandra Hours; Takahide Fukuyama; Anne-Lise Dhimane; Louis Fensterbank; Max Malacria
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2009
• Journal volume: 131
• Pages of publication: 2993 - 3006
• a: 15.511 ± 0.002 Å
• b: 11.7916 ± 0.0016 Å
• c: 11.173 ± 0.0009 Å
• α: 90°
• β: 97.031 ± 0.009°
• γ: 90°
• Cell volume: 2028.2 ± 0.4 ų
• Cell temperature: 250 ± 2 K
• Ambient diffraction temperature: 250 ± 2 K
• Number of distinct elements: 4
• 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: 0.1408
• Residual factor for significantly intense reflections: 0.057
• Weighted residual factors for significantly intense reflections: 0.1444
• Weighted residual factors for all reflections included in the refinement: 0.1837
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No