Information card for entry 1504709

Structure parameters

• Formula: C30 H36 Cl2 N2 O Ru
• Calculated formula: C30 H36 Cl2 N2 O Ru
• SMILES: [Ru]1(Cl)(Cl)([O](c2c(C=1)cccc2)C(C)C)=C1N(C(CN1c1c(cc(cc1C)C)C)(C)C)c1ccccc1
• Title of publication: Olefin metathesis catalyst: stabilization effect of backbone substitutions of N-heterocyclic carbene.
• Authors of publication: Chung, Cheol K.; Grubbs, Robert H.
• Journal of publication: Organic letters
• Year of publication: 2008
• Journal volume: 10
• Journal issue: 13
• Pages of publication: 2693 - 2696
• a: 9.5479 ± 0.0003 Å
• b: 15.7574 ± 0.0005 Å
• c: 18.9019 ± 0.0006 Å
• α: 90°
• β: 97.127 ± 0.001°
• γ: 90°
• Cell volume: 2821.82 ± 0.15 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: 0.0504
• Residual factor for significantly intense reflections: 0.0308
• Weighted residual factors for significantly intense reflections: 0.051
• Weighted residual factors for all reflections included in the refinement: 0.052
• Goodness-of-fit parameter for all reflections included in the refinement: 1.69
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No