Information card for entry 1545321

Structure parameters

• Formula: C21 H22 O2
• Calculated formula: C21 H22 O2
• SMILES: O=C(O)[C@@]1(c2ccccc2)[C@]2([C@@H]1CCC2)CCc1ccccc1.O=C(O)[C@]1(c2ccccc2)[C@@]2([C@H]1CCC2)CCc1ccccc1
• 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: 12.562 ± 0.004 Å
• b: 7.6332 ± 0.0015 Å
• c: 19.11 ± 0.005 Å
• α: 90°
• β: 107.74 ± 0.009°
• γ: 90°
• Cell volume: 1745.3 ± 0.8 ų
• Cell temperature: 98 K
• Ambient diffraction temperature: 98 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0583
• Residual factor for significantly intense reflections: 0.0418
• Weighted residual factors for significantly intense reflections: 0.1125
• Weighted residual factors for all reflections included in the refinement: 0.1189
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No