Information card for entry 4108185

Structure parameters

• Formula: C65 H74 Cl8 Ru2 S2
• Calculated formula: C65 H74 Cl8 Ru2 S2
• SMILES: [Ru]123456([Ru]789%10(Cl)([S]1[C@H](CC)c1cc(cc(c1)c1ccccc1)c1ccccc1)([S]2[C@H](CC)c1cc(cc(c1)c1ccccc1)c1ccccc1)[c]1([c]%10([c]9([c]8([c]71C)C)C)C)C)(Cl)[c]1([c]3([c]4([c]5([c]61C)C)C)C)C.ClCCl.ClCCl.ClCCl
• Title of publication: Ruthenium-Catalyzed Enantioselective Carbon-Carbon Bond Forming Reaction via Allenylidene-Ene Process: Synthetic Approach to Chiral Heterocycles Such As Chromane, Thiochromane, and 1,2,3,4-Tetrahydroquinoline Derivatives
• Authors of publication: Koji Fukamizu; Yoshihiro Miyake; Yoshiaki Nishibayashi
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2008
• Journal volume: 130
• Pages of publication: 10498 - 10499
• a: 11.2974 ± 0.0007 Å
• b: 11.7303 ± 0.0008 Å
• c: 12.8223 ± 0.0006 Å
• α: 103.283 ± 0.004°
• β: 97.9031 ± 0.0011°
• γ: 98.387 ± 0.0016°
• Cell volume: 1610.08 ± 0.17 ų
• Cell temperature: 173.1 K
• Number of distinct elements: 5
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for significantly intense reflections: 0.0341
• Weighted residual factors for all reflections included in the refinement: 0.0566
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No