Information card for entry 7108077

Structure parameters

• Formula: C18 H25 B Mn N O5
• Calculated formula: C18 H25 B Mn N O5
• SMILES: [Mn]123([n]4ccccc4C([O]2[B](OC=1CC)(CC)CC)CC(=[O]3)C)(C#[O])C#[O]
• Title of publication: Intramolecular carboboration of carbonyl ligands to form boroxycarbenes
• Authors of publication: Celedonio M. Alvarez; Romen Carrillo; Raul Garcia-Rodriguez; Daniel Miguel
• Journal of publication: Chem.Commun.
• Year of publication: 2012
• Journal volume: 48
• Pages of publication: 7705
• a: 14.745 ± 0.005 Å
• b: 8.775 ± 0.003 Å
• c: 31.476 ± 0.01 Å
• α: 90°
• β: 99.237 ± 0.009°
• γ: 90°
• Cell volume: 4020 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1783
• Residual factor for significantly intense reflections: 0.0916
• Weighted residual factors for significantly intense reflections: 0.1842
• Weighted residual factors for all reflections included in the refinement: 0.2124
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No