Information card for entry 1505391

Structure parameters

• Formula: C27 H30 Cl2 N2 O Ru
• Calculated formula: C27 H30 Cl2 N2 O Ru
• SMILES: [Ru]1(Cl)(Cl)([O](c2c(C=1)cccc2)C(C)C)=C1N(CCN1c1c(cccc1)C)c1c(cccc1)C
• Title of publication: Highly efficient ruthenium catalysts for the formation of tetrasubstituted olefins via ring-closing metathesis.
• Authors of publication: Stewart, Ian C.; Ung, Thay; Pletnev, Alexandre A.; Berlin, Jacob M.; Grubbs, Robert H.; Schrodi, Yann
• Journal of publication: Organic letters
• Year of publication: 2007
• Journal volume: 9
• Journal issue: 8
• Pages of publication: 1589 - 1592
• a: 11.5794 ± 0.0003 Å
• b: 13.935 ± 0.0004 Å
• c: 16.6418 ± 0.0005 Å
• α: 90°
• β: 105.578 ± 0.001°
• γ: 90°
• Cell volume: 2586.66 ± 0.13 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0575
• Residual factor for significantly intense reflections: 0.0348
• Weighted residual factors for significantly intense reflections: 0.0652
• Weighted residual factors for all reflections included in the refinement: 0.0688
• Goodness-of-fit parameter for all reflections included in the refinement: 1.35
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No