Information card for entry 4060834

Structure parameters

• Formula: C68 H87 Mo N O4
• Calculated formula: C68 H87 Mo N O4
• SMILES: [Mo]1(Oc2c(cc3c(c2c2c(O1)c(c1c(C)cc(cc1C)C)cc1c2CCCC1)CCCC3)c1c(C)cc(C)cc1C)([O]1CCCC1)(=Nc1c(cccc1C(C)C)C(C)C)=CC(c1ccccc1)(C)C.O(CC)CC
• 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: 13.755 ± 0.005 Å
• b: 20.578 ± 0.007 Å
• c: 21.263 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6018 ± 4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.1126
• Residual factor for significantly intense reflections: 0.0663
• Weighted residual factors for significantly intense reflections: 0.1101
• Weighted residual factors for all reflections included in the refinement: 0.1261
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No