Information card for entry 7154288

Structure parameters

• Chemical name: (3R*,5R*)-Dimethyl 3-(2-ethoxy-2-oxoethyl)-1-(4-methoxyphenyl)-5-phenylpyrrolidine-2,2-dicarboxylate
• Formula: C25 H29 N O7
• Calculated formula: C24.195 H26.235 N O6.77
• Title of publication: Domino [4 + 1]-annulation of α,β-unsaturated δ-amino esters with Rh(ii)-carbenoids - a new approach towards multi-functionalized N-aryl pyrrolidines.
• Authors of publication: Medvedev, J. J.; Galkina, O. S.; Klinkova, A. A.; Giera, D. S.; Hennig, L.; Schneider, C.; Nikolaev, V. A.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2015
• Journal volume: 13
• Journal issue: 9
• Pages of publication: 2640 - 2651
• a: 12.1483 ± 0.0004 Å
• b: 13.9559 ± 0.0004 Å
• c: 13.7585 ± 0.0004 Å
• α: 90°
• β: 90.921 ± 0.002°
• γ: 90°
• Cell volume: 2332.32 ± 0.12 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 K
• Number of distinct elements: 4
• 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: 0.0812
• Residual factor for significantly intense reflections: 0.0418
• Weighted residual factors for significantly intense reflections: 0.089
• Weighted residual factors for all reflections included in the refinement: 0.0964
• Goodness-of-fit parameter for all reflections included in the refinement: 0.891
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No