Information card for entry 4060833

Structure parameters

• Formula: C39 H53 Cl2 Mo N O3
• Calculated formula: C39 H53 Cl2 Mo N O3
• SMILES: [Mo]1(Oc2c(c(c(cc2C(C)(C)C)C)C)c2c(O1)c(cc(c2C)C)C(C)(C)C)([O]1CCCC1)(=CC(C)(C)C)=Nc1c(Cl)cccc1Cl
• 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: 10.5365 ± 0.0006 Å
• b: 18.3753 ± 0.0011 Å
• c: 19.7029 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3814.7 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0567
• Residual factor for significantly intense reflections: 0.0502
• Weighted residual factors for significantly intense reflections: 0.1243
• Weighted residual factors for all reflections included in the refinement: 0.128
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No