Information card for entry 4116262

Structure parameters

• Formula: C19 H18 O4
• Calculated formula: C19 H18 O4
• SMILES: O([C@]1(c2ccccc2)[C@@](OC(=O)C)(c2ccccc2)C1)C(=O)C.O([C@@]1(c2ccccc2)[C@](OC(=O)C)(c2ccccc2)C1)C(=O)C
• Title of publication: Preparation of Cyclopropanediol: Novel [2 + 1] Cycloaddition Reaction of Bis(iodozincio)methane with 1,2-Diketones
• Authors of publication: Katsumi Ukai; Koichiro Oshima; Seijiro Matsubara
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2000
• Journal volume: 122
• Pages of publication: 12047 - 12048
• a: 43.816 ± 0.009 Å
• b: 5.922 ± 0.002 Å
• c: 38.178 ± 0.008 Å
• α: 90°
• β: 100.53 ± 0.01°
• γ: 90°
• Cell volume: 9740 ± 4 ų
• Cell temperature: 293 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for significantly intense reflections: 0.1295
• Weighted residual factors for all reflections included in the refinement: 0.1383
• Goodness-of-fit parameter for all reflections included in the refinement: 3.278
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No