Information card for entry 7126702

Structure parameters

• Formula: C29 H23 F12 N5 O Os P2
• Calculated formula: C29 H23 F12 N5 O Os P2
• SMILES: [Os]12([n]3cccc4c3c3c([n+](ccc13)C)cc4)([n]1cccc3c1c1c([n+](C)ccc21)cc3)([N]#CC)C#[O].[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Asymmetric catalysis with a chiral-at-osmium complex.
• Authors of publication: Wang, Guanghui; Zhou, Zijun; Shen, Xiang; Ivlev, Sergei; Meggers, Eric
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 56
• Pages of publication: 7714 - 7717
• a: 14.2056 ± 0.0008 Å
• b: 15.5349 ± 0.0009 Å
• c: 16.0807 ± 0.0009 Å
• α: 70.816 ± 0.002°
• β: 78.674 ± 0.002°
• γ: 76.497 ± 0.002°
• Cell volume: 3231.2 ± 0.3 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 7
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0677
• Residual factor for significantly intense reflections: 0.0476
• Weighted residual factors for significantly intense reflections: 0.0831
• Weighted residual factors for all reflections included in the refinement: 0.0886
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No