Information card for entry 7225519

Structure parameters

• Chemical name: 3'-benzyl 1'-(tert-butyl) (R)-5-bromo-1-methyl-2-oxo-1,2,5'-trihydrospiro[indole-3,2'-pyrrole]-1',3'-dicarboxylate
• Formula: C25 H25 Br N2 O5
• Calculated formula: C25 H25 Br N2 O5
• SMILES: Brc1ccc2N(C(=O)[C@@]3(N(CC=C3C(=O)OCc3ccccc3)C(=O)OC(C)(C)C)c2c1)C
• Title of publication: l-Isoleucine derived bifunctional phosphine catalyses asymmetric [3 + 2]-annulation of allenyl-esters and -ketones with ketimines
• Authors of publication: Sankar, Muthukumar G.; Garcia-Castro, Miguel; Golz, Christopher; Strohmann, Carsten; Kumar, Kamal
• Journal of publication: RSC Adv.
• Year of publication: 2016
• Journal volume: 6
• Journal issue: 61
• Pages of publication: 56537
• a: 9.001 ± 0.002 Å
• b: 9.362 ± 0.002 Å
• c: 14.597 ± 0.003 Å
• α: 90°
• β: 104.81 ± 0.008°
• γ: 90°
• Cell volume: 1189.2 ± 0.4 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0217
• Residual factor for significantly intense reflections: 0.0207
• Weighted residual factors for significantly intense reflections: 0.0525
• Weighted residual factors for all reflections included in the refinement: 0.053
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No