Information card for entry 7154900

Structure parameters

• Common name: spiroindoloimidazolidine
• Chemical name: imidazolidine
• Formula: C36 H31 N3 O3 S
• Calculated formula: C36 H31 N3 O3 S
• SMILES: S(=O)(=O)(N1[C@@H]([C@]2(N(c3ccccc3)[C@H]1c1ccccc1)c1c(N(C2=O)C)cccc1)c1ccccc1)c1ccc(cc1)C.S(=O)(=O)(N1[C@H]([C@@]2(N(c3ccccc3)[C@@H]1c1ccccc1)c1c(N(C2=O)C)cccc1)c1ccccc1)c1ccc(cc1)C
• Title of publication: Copper(i) catalyzed diastereoselective multicomponent synthesis of spiroindolo-pyrrolidines/-imidazolidines/-triazolidines from diazoamides via azomethine ylides.
• Authors of publication: Muthusamy, Sengodagounder; Kumar, Singaravelan Ganesh
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2016
• Journal volume: 14
• Journal issue: 7
• Pages of publication: 2228 - 2240
• a: 13.4366 ± 0.0009 Å
• b: 9.3183 ± 0.0006 Å
• c: 23.8673 ± 0.0016 Å
• α: 90°
• β: 91.562 ± 0.001°
• γ: 90°
• Cell volume: 2987.2 ± 0.3 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• 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: 0.0633
• Residual factor for significantly intense reflections: 0.05
• Weighted residual factors for significantly intense reflections: 0.1323
• Weighted residual factors for all reflections included in the refinement: 0.1412
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No