Information card for entry 7111233

Structure parameters

• Formula: C26 H22 N2 O2
• Calculated formula: C26 H22 N2 O2
• SMILES: N12c3ccccc3N=C([C@@H](C(=O)C=C1c1ccccc1)[C@@H]2OCC)c1ccccc1.N12c3ccccc3N=C([C@H](C(=O)C=C1c1ccccc1)[C@H]2OCC)c1ccccc1
• Title of publication: New Pd-catalyzed tandem cyclization processes on group 6 bis-carbene complexes
• Authors of publication: Sierra, Miguel A.; del Amo, Juan C.; Mancheño, María J.; Gómez-Gallego, Mar; Torres, M. Rosario
• Journal of publication: Chemical Communications
• Year of publication: 2002
• Journal issue: 17
• Pages of publication: 1842 - 1843
• a: 27.815 ± 0.003 Å
• b: 10.6199 ± 0.0013 Å
• c: 18.243 ± 0.002 Å
• α: 90°
• β: 129.124 ± 0.002°
• γ: 90°
• Cell volume: 4180.6 ± 0.8 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1158
• Residual factor for significantly intense reflections: 0.0468
• Weighted residual factors for significantly intense reflections: 0.0945
• Weighted residual factors for all reflections included in the refinement: 0.1113
• Goodness-of-fit parameter for all reflections included in the refinement: 0.88
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No