Information card for entry 7132894

Structure parameters

• Formula: C15 H19 Br N2 O2
• Calculated formula: C15 H19 Br N2 O2
• Title of publication: Planar-chiral arene ruthenium complexes: synthesis, separation of enantiomers, and application for catalytic C-H activation.
• Authors of publication: Boym, Mikhail A.; Pototskiy, Roman A.; Podyacheva, Evgeniya S.; Chusov, Denis A.; Nelyubina, Yulia V.; Perekalin, Dmitry S.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2024
• Journal volume: 60
• Journal issue: 33
• Pages of publication: 4491 - 4494
• a: 7.049 ± 0.003 Å
• b: 11.48 ± 0.005 Å
• c: 19.45 ± 0.008 Å
• α: 90°
• β: 98.623 ± 0.004°
• γ: 90°
• Cell volume: 1556.2 ± 1.1 ų
• Cell temperature: 220 K
• Ambient diffraction temperature: 220 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1548
• Residual factor for significantly intense reflections: 0.0679
• Weighted residual factors for significantly intense reflections: 0.1185
• Weighted residual factors for all reflections included in the refinement: 0.1504
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No