Information card for entry 1511911

Structure parameters

• Formula: C23 H25 N O6 S
• Calculated formula: C23 H25 N O6 S
• SMILES: c1(ccccc1)[C@H]1C(C[C@@H](C=C)N1S(=O)(=O)c1ccc(cc1)C)(C(=O)OC)C(=O)OC.c1(ccccc1)[C@@H]1C(C[C@H](C=C)N1S(=O)(=O)c1ccc(cc1)C)(C(=O)OC)C(=O)OC
• Title of publication: Nickel-catalyzed cycloaddition of vinylcyclopropanes to imines.
• Authors of publication: Tombe, Rihoko; Kurahashi, Takuya; Matsubara, Seijiro
• Journal of publication: Organic letters
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 8
• Pages of publication: 1791 - 1793
• a: 9.474 ± 0.0018 Å
• b: 10.2346 ± 0.0019 Å
• c: 12.862 ± 0.002 Å
• α: 67.948 ± 0.003°
• β: 89.908 ± 0.003°
• γ: 88.178 ± 0.003°
• Cell volume: 1155.2 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0775
• Residual factor for significantly intense reflections: 0.0726
• Weighted residual factors for significantly intense reflections: 0.2468
• Weighted residual factors for all reflections included in the refinement: 0.2506
• Goodness-of-fit parameter for all reflections included in the refinement: 1.133
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No