Information card for entry 7118918

Structure parameters

• Formula: C17 H18 N2 O5 S2
• Calculated formula: C17 H18 N2 O5 S2
• SMILES: c12ccccc1[C@@]1(C)[C@](c3c(cccc3)O1)(N2)NS(=O)(=O)CS(=O)(=O)C.c12ccccc1[C@]1(C)[C@@](c3c(cccc3)O1)(N2)NS(=O)(=O)CS(=O)(=O)C
• Title of publication: Synthesis of benzofuro[3,2-b]indoline amines via deamination-interrupted Fischer indolization and their unexpected reactivity towards nucleophiles.
• Authors of publication: Tomakinian, Terry; Guillot, Régis; Kouklovsky, Cyrille; Vincent, Guillaume
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2016
• Journal volume: 52
• Journal issue: 31
• Pages of publication: 5443 - 5446
• a: 9.2208 ± 0.0002 Å
• b: 9.2881 ± 0.0002 Å
• c: 11.3189 ± 0.0003 Å
• α: 92.755 ± 0.001°
• β: 107.193 ± 0.001°
• γ: 106.506 ± 0.001°
• Cell volume: 878.64 ± 0.04 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 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: 0.043
• Residual factor for significantly intense reflections: 0.0338
• Weighted residual factors for significantly intense reflections: 0.0896
• Weighted residual factors for all reflections included in the refinement: 0.0952
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No