Information card for entry 1502914

Structure parameters

• Common name: [(R,R)-2,6-Bis(5-phenyl-6,7-dihydro-5H-pyrrolo[1,2-c]imidazolium-2-yl)lutidine]chloronickel tetrafluoroborate
• Formula: C32 H31 B Cl3 F4 N5 Ni
• Calculated formula: C32 H31 B Cl3 F4 N5 Ni
• SMILES: [Ni]12(Cl)[n]3c(cccc3CN3C=2N2C(CC[C@@H]2c2ccccc2)=C3)CN2C=1N1C(CC[C@@H]1c1ccccc1)=C2.ClCCl.[B](F)(F)(F)[F-]
• Title of publication: Bicyclic imidazoles for modular synthesis of chiral imidazolium salts.
• Authors of publication: Yoshida, Kazuhiro; Horiuchi, Shingo; Takeichi, Tomoko; Shida, Hiroaki; Imamoto, Tsuneo; Yanagisawa, Akira
• Journal of publication: Organic letters
• Year of publication: 2010
• Journal volume: 12
• Journal issue: 8
• Pages of publication: 1764 - 1767
• a: 9.2702 ± 0.0007 Å
• b: 15.574 ± 0.0012 Å
• c: 22.6712 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3273.1 ± 0.4 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 7
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0773
• Residual factor for significantly intense reflections: 0.053
• Weighted residual factors for significantly intense reflections: 0.1322
• Weighted residual factors for all reflections included in the refinement: 0.1445
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No