Information card for entry 4108186

Structure parameters

• Formula: C23 H17 Cl O
• Calculated formula: C23 H17 Cl O
• SMILES: Clc1ccc(C(=C)[C@@H]2[C@@H](c3c(OC2)ccc2ccccc32)C#C)cc1
• 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: 9.9845 ± 0.0009 Å
• b: 20.7418 ± 0.0015 Å
• c: 25.4506 ± 0.0019 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5270.7 ± 0.7 ų
• Cell temperature: 173.1 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for significantly intense reflections: 0.0426
• Weighted residual factors for all reflections included in the refinement: 0.2058
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No