Information card for entry 1545322

Structure parameters

• Formula: C21 H20 O3
• Calculated formula: C21 H20 O3
• SMILES: O=C(O)[C@]1(c2ccccc2)[C@@H]2[C@@]1(CC(=O)c1ccccc1)CCC2.O=C(O)[C@@]1(c2ccccc2)[C@H]2[C@]1(CC(=O)c1ccccc1)CCC2
• Title of publication: Highly Regio-, Diastereo-, and Enantioselective Rhodium-Catalyzed Intramolecular Cyclopropanation of (Z)-1,3-Dienyl Aryldiazoacetates.
• Authors of publication: Marichev, Kostiantyn O.; Ramey, Justin T.; Arman, Hadi; Doyle, Michael P.
• Journal of publication: Organic letters
• Year of publication: 2017
• Journal volume: 19
• Journal issue: 6
• Pages of publication: 1306 - 1309
• a: 7.4785 ± 0.0004 Å
• b: 10.0969 ± 0.0005 Å
• c: 11.6506 ± 0.0006 Å
• α: 72.828 ± 0.005°
• β: 89.259 ± 0.004°
• γ: 77.332 ± 0.004°
• Cell volume: 818.79 ± 0.08 ų
• Cell temperature: 98 K
• Ambient diffraction temperature: 98 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0423
• Residual factor for significantly intense reflections: 0.0392
• Weighted residual factors for significantly intense reflections: 0.1001
• Weighted residual factors for all reflections included in the refinement: 0.1029
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No