Information card for entry 4023713

Structure parameters

• Formula: C26 H23 N O
• Calculated formula: C26 H23 N O
• SMILES: O1[C@@]2([C@@H]([C@@H]([C@@H](c3c4ccccc4[nH]c23)c2ccccc2)C1)c1ccccc1)C.O1[C@]2([C@H]([C@H]([C@H](c3c4ccccc4[nH]c23)c2ccccc2)C1)c1ccccc1)C
• Title of publication: Gold(I)-Catalyzed Intermolecular Addition of Carbon Nucleophiles to 1,5- and 1,6-Enynes
• Authors of publication: Catelijne H. M. Amijs; Verónica López-Carrillo; Mihai Raducan; Patricia Pérez-Galán; Catalina Ferrer; Antonio M. Echavarren
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2008
• Journal volume: 73
• Pages of publication: 7721 - 7730
• a: 8.905 ± 0.0006 Å
• b: 19.1445 ± 0.0013 Å
• c: 22.5916 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3851.5 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.066
• Residual factor for significantly intense reflections: 0.049
• Weighted residual factors for significantly intense reflections: 0.1267
• Weighted residual factors for all reflections included in the refinement: 0.1396
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No