Information card for entry 1503521

Structure parameters

• Common name: 09204a
• Formula: C25 H25 N O2
• Calculated formula: C25 H25 N O2
• SMILES: O=C(N[C@H]1CC(=C)C[C@@H]1c1cc2ccccc2cc1)[C@H](OC)c1ccccc1
• Title of publication: Enantioselective palladium-catalyzed [3 + 2] cycloadditions of trimethylenemethane with nitroalkenes.
• Authors of publication: Trost, Barry M.; Bringley, Dustin A.; Seng, Pamela S.
• Journal of publication: Organic letters
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 1
• Pages of publication: 234 - 237
• a: 27.33 ± 0.003 Å
• b: 5.2842 ± 0.0005 Å
• c: 14.3245 ± 0.0014 Å
• α: 90°
• β: 100.363 ± 0.001°
• γ: 90°
• Cell volume: 2035 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0511
• Residual factor for significantly intense reflections: 0.0375
• Weighted residual factors for significantly intense reflections: 0.0856
• Weighted residual factors for all reflections included in the refinement: 0.0932
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No