Information card for entry 7154899

Structure parameters

• Chemical name: spiroindolopyrrole
• Formula: C32 H24 Br N3 O3
• Calculated formula: C32 H24 Br N3 O3
• SMILES: Brc1ccc(N2[C@H]([C@H]3[C@H](C(=O)N(c4ccccc4)C3=O)[C@@]32C(=O)N(c2ccccc32)C)c2ccccc2)cc1.Brc1ccc(N2[C@@H]([C@@H]3[C@@H](C(=O)N(c4ccccc4)C3=O)[C@]32C(=O)N(c2ccccc32)C)c2ccccc2)cc1
• 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: 9.6198 ± 0.0008 Å
• b: 11.1689 ± 0.0009 Å
• c: 13.4682 ± 0.0006 Å
• α: 113.744 ± 0.006°
• β: 93.929 ± 0.005°
• γ: 90.612 ± 0.007°
• Cell volume: 1320.3 ± 0.18 ų
• Cell temperature: 251 ± 18 K
• Ambient diffraction temperature: 251 ± 18 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: 0.0877
• Residual factor for significantly intense reflections: 0.0513
• Weighted residual factors for significantly intense reflections: 0.1299
• Weighted residual factors for all reflections included in the refinement: 0.162
• Goodness-of-fit parameter for all reflections included in the refinement: 0.883
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No