Information card for entry 1545677

Structure parameters

• Formula: C21 H18 O2
• Calculated formula: C21 H18 O2
• SMILES: O1C(=O)[C@]2(c3ccccc3)[C@]3(C=C1c1ccccc1)[C@H]2CCC3
• 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: 9.8614 ± 0.0019 Å
• b: 11.994 ± 0.002 Å
• c: 13.532 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1600.5 ± 0.5 ų
• Cell temperature: 98 K
• Ambient diffraction temperature: 98 K
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0378
• Residual factor for significantly intense reflections: 0.0365
• Weighted residual factors for significantly intense reflections: 0.0847
• Weighted residual factors for all reflections included in the refinement: 0.0855
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No