Information card for entry 4032081

Structure parameters

• Formula: C24 H24 N2 O5
• Calculated formula: C24 H24 N2 O5
• SMILES: O=C(c1nccn1C)[C@@H]1[C@H](C1(C(=O)OCC)C(=O)OCC)c1cccc2ccccc12
• Title of publication: Chiral Rhodium(III) Complex-Catalyzed Cascade Michael-Alkylation Reactions: Enantioselective Synthesis of Cyclopropanes.
• Authors of publication: Sun, Gui-Jun; Gong, Jun; Kang, Qiang
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2017
• Journal volume: 82
• Journal issue: 1
• Pages of publication: 796 - 803
• a: 15.671 ± 0.0007 Å
• b: 9.7549 ± 0.0003 Å
• c: 28.7604 ± 0.0016 Å
• α: 90°
• β: 104.987 ± 0.006°
• γ: 90°
• Cell volume: 4247 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1219
• Residual factor for significantly intense reflections: 0.1083
• Weighted residual factors for significantly intense reflections: 0.296
• Weighted residual factors for all reflections included in the refinement: 0.3083
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No