Information card for entry 4104627

Structure parameters

• Common name: open-1a
• Formula: C27 H39 B N2 O
• Calculated formula: C27 H39 B N2 O
• Title of publication: Importance of Open Structure of Nonmetal Based Catalyst in Hydrogen Bond Promoted Methanolysis of Activated Amide: Structure Dynamics between Monomer and Dimer Enabling Recombinant Covalent, Dative, and Hydrogen Bonds
• Authors of publication: Oishi, Shunsuke; Yoshimoto, Junichi; Saito, Susumu
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2009
• Journal volume: 131
• Journal issue: 25
• Pages of publication: 8748 - 8749
• a: 11.859 ± 0.005 Å
• b: 18.165 ± 0.007 Å
• c: 11.25 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2423.5 ± 1.6 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.1163
• Residual factor for significantly intense reflections: 0.0657
• Weighted residual factors for significantly intense reflections: 0.1524
• Weighted residual factors for all reflections included in the refinement: 0.1755
• Goodness-of-fit parameter for all reflections included in the refinement: 0.867
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No