Information card for entry 7115007

Structure parameters

• Formula: C19 H20 N4 O8
• Calculated formula: C19 H20 N4 O8
• SMILES: O=C(OC)C1(CC(C(=C(/C=N/Nc2c(N(=O)=O)cc(N(=O)=O)cc2)C1)C)=C)C(=O)OC
• Title of publication: Unexpected results of enyne metathesis using a ruthenium complex containing an N-heterocyclic carbene ligand
• Authors of publication: Kitamura, Tsuyoshi; Sato, Yoshihiro; Mori, Miwako
• Journal of publication: Chemical Communications
• Year of publication: 2001
• Journal issue: 14
• Pages of publication: 1258
• a: 11.554 ± 0.002 Å
• b: 11.813 ± 0.002 Å
• c: 8.2501 ± 0.0009 Å
• α: 97.89 ± 0.01°
• β: 97.23 ± 0.01°
• γ: 63.57 ± 0.01°
• Cell volume: 996.1 ± 0.3 ų
• Cell temperature: 296.2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for all reflections included in the refinement: 0.1006
• Goodness-of-fit parameter for all reflections included in the refinement: 1.181
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No