Information card for entry 7116347

Structure parameters

• Formula: C22 H17 F N2 O4 S2
• Calculated formula: C22 H17 F N2 O4 S2
• SMILES: [C@@]123C(=O)c4cc(ccc4N3CC[C@H]1c1cc(ccc1N2S(=O)(=O)c1cccs1)F)OC.[C@]123C(=O)c4cc(ccc4N3CC[C@@H]1c1cc(ccc1N2S(=O)(=O)c1cccs1)F)OC
• Title of publication: Creation of molecular complexities via a new Cu-catalyzed cascade reaction: a direct access to novel 2,2'-spirobiindole derivatives
• Authors of publication: Bagineni Prasad; Raju Adepu; Atul Kumar Sharma; Manojit Pal
• Journal of publication: Chem.Commun.
• Year of publication: 2015
• Journal volume: 51
• Pages of publication: 1259
• a: 9.0012 ± 0.0002 Å
• b: 11.6897 ± 0.0003 Å
• c: 19.0204 ± 0.0005 Å
• α: 90°
• β: 92.744 ± 0.001°
• γ: 90°
• Cell volume: 1999.06 ± 0.09 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• 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: 0.0449
• Residual factor for significantly intense reflections: 0.0383
• Weighted residual factors for significantly intense reflections: 0.1052
• Weighted residual factors for all reflections included in the refinement: 0.1138
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No