Information card for entry 7113704

Structure parameters

• Formula: C8 H10 Cl3 N O
• Calculated formula: C8 H10 Cl3 N O
• SMILES: ClC1(Cl)[C@H]([C@H]2N(CCC2)C1=O)CCl
• Title of publication: Organoruthenium(II) and (III) amidinates, (η5-C5Me5)Ru(η-amidinate) and (η5-C5Me5)RuCl(η-amidinate), as unique redox catalysts for the intramolecular Kharasch reactions: Facile access to a pyrrolizidine alkaloid skeleton under mild conditions
• Authors of publication: Nagashima, Hideo; Gondo, Mitsuru; Masuda, Satoshi; Kondo, Hideo; Yamaguchi, Yoshitaka; Matsubara, Kouki
• Journal of publication: Chemical Communications (Cambridge, United Kingdom)
• Year of publication: 2003
• Journal issue: 3
• Pages of publication: 442 - 443
• a: 9.3085 ± 0.0006 Å
• b: 15.0641 ± 0.001 Å
• c: 7.4597 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1046.03 ± 0.11 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0463
• Residual factor for significantly intense reflections: 0.0333
• Weighted residual factors for significantly intense reflections: 0.0685
• Weighted residual factors for all reflections included in the refinement: 0.0741
• Goodness-of-fit parameter for all reflections included in the refinement: 0.966
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Duplicate of: 7103944
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No