Information card for entry 1503186

Structure parameters

• Formula: C30 H28 B Cl2 F N2 O
• Calculated formula: C30 H28 B Cl2 F N2 O
• SMILES: ClCCCl.[O](=C1N=N(=Cc2c(F)cccc2)CC1)[B](c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Rhodium-catalyzed asymmetric arylation of azomethine imines.
• Authors of publication: Shintani, Ryo; Soh, Ying-Teck; Hayashi, Tamio
• Journal of publication: Organic letters
• Year of publication: 2010
• Journal volume: 12
• Journal issue: 18
• Pages of publication: 4106 - 4109
• a: 15.361 ± 0.003 Å
• b: 14.451 ± 0.004 Å
• c: 23.729 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5267 ± 2 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 7
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1484
• Residual factor for significantly intense reflections: 0.0991
• Weighted residual factors for significantly intense reflections: 0.2635
• Weighted residual factors for all reflections included in the refinement: 0.2982
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No