Information card for entry 7213320

Structure parameters

• Formula: C36 H30 N4
• Calculated formula: C36 H30 N4
• SMILES: c1(n(C)c2ccccc2c1c1c(n(C)c2ccccc12)c1cn(C)c2ccccc12)c1cn(C)c2ccccc12
• Title of publication: Synthesis of novel 1-methylindole trimer and tetramer under Friedel‒Crafts reaction conditions and determination of their structures by X-ray crystallography
• Authors of publication: Mahato, Shashi B.; Garai, Subhadra; Weber, Manuela; Luger, Peter
• Journal of publication: Journal of the Chemical Society, Perkin Transactions 1
• Year of publication: 2000
• Journal issue: 16
• Pages of publication: 2767
• a: 10.595 ± 0.005 Å
• b: 11.125 ± 0.004 Å
• c: 13.02 ± 0.001 Å
• α: 78.57 ± 0.06°
• β: 68.32 ± 0.06°
• γ: 86.25 ± 0.03°
• Cell volume: 1397.8 ± 1.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1588
• Residual factor for significantly intense reflections: 0.0592
• Weighted residual factors for significantly intense reflections: 0.1297
• Weighted residual factors for all reflections included in the refinement: 0.163
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No