Information card for entry 4022534

Structure parameters

• Formula: C19 H18 O2
• Calculated formula: C19 H18 O2
• SMILES: O(C(=O)C)/C(=C\c1ccccc1)[C@@H]1[C@H](c2ccccc2)C1
• Title of publication: Ruthenium-Catalyzed Cyclopropanation of Alkenes Using Propargylic Carboxylates as Precursors of Vinylcarbenoids
• Authors of publication: Koji Miki; Kouichi Ohe; Sakae Uemura
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2003
• Journal volume: 68
• Pages of publication: 8505 - 8513
• a: 8.1159 ± 0.0007 Å
• b: 9.33 ± 0.001 Å
• c: 10.3661 ± 0.0008 Å
• α: 90°
• β: 97.6 ± 0.008°
• γ: 90°
• Cell volume: 778 ± 0.1 ų
• Cell temperature: 296.1 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for all reflections included in the refinement: 0.048
• Goodness-of-fit parameter for all reflections included in the refinement: 3.433
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No