Information card for entry 4060835

Structure parameters

• Formula: C61 H61 Cl2 Mo N O3
• Calculated formula: C61 H61 Cl2 Mo N O3
• SMILES: [Mo]1(Oc2c(cc3c(CCCC3)c2c2c(O1)c(cc1CCCCc21)C(c1ccccc1)c1ccccc1)C(c1ccccc1)c1ccccc1)([O]1CCCC1)(=Nc1c(Cl)cccc1Cl)=CC(C)(C)C
• Title of publication: New Chiral Molybdenum Catalysts for Asymmetric Olefin Metathesis that Contain 3,3'-Disubstituted Octahydrobinaphtholate or 2,6-Dichlorophenylimido Ligands
• Authors of publication: Richard R. Schrock; Jennifer Y. Jamieson; Sarah J. Dolman; Stephen A. Miller; Peter J. Bonitatebus, Jr.; Amir H. Hoveyda
• Journal of publication: Organometallics
• Year of publication: 2002
• Journal volume: 21
• Pages of publication: 409 - 417
• a: 13.773 ± 0.005 Å
• b: 17.182 ± 0.006 Å
• c: 21.696 ± 0.008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5134 ± 3 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.052
• Residual factor for significantly intense reflections: 0.0435
• Weighted residual factors for significantly intense reflections: 0.0994
• Weighted residual factors for all reflections included in the refinement: 0.1034
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No