Information card for entry 7215076

Structure parameters

• Common name: 3-[(1H-indol-3-yl)(phenyl)methylene]-3H-indol
• Chemical name: 3-[(1H-indol-3-yl)(phenyl)methylene]-3H-indole
• Formula: C23 H21 Cl N2 O2
• Calculated formula: C23 H21 Cl N2 O2
• SMILES: [nH]1cc(c2ccccc12)C(c1ccccc1)=c1c[nH+]c2c1cccc2.O.[Cl-].O
• Title of publication: CeIII-promoted oxidation. Efficient aerobic one-pot eco-friendly synthesis of oxidized bis(indol-3-yl)methanes and cyclic tetra(indolyl)dimethanes
• Authors of publication: Silveira, Claudio C.; Mendes, Samuel R.; Villetti, Marcos A.; Back, Davi F.; Kaufman, Teodoro S.
• Journal of publication: Green Chemistry
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 10
• Pages of publication: 2912
• a: 11.9856 ± 0.0003 Å
• b: 18.2571 ± 0.0003 Å
• c: 9.0361 ± 0.0002 Å
• α: 90°
• β: 94.463 ± 0.001°
• γ: 90°
• Cell volume: 1971.3 ± 0.07 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0632
• Residual factor for significantly intense reflections: 0.0528
• Weighted residual factors for significantly intense reflections: 0.157
• Weighted residual factors for all reflections included in the refinement: 0.1681
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No