Information card for entry 7155077

Structure parameters

• Formula: C26 H22 N2 O2
• Calculated formula: C26 H22 N2 O2
• SMILES: O=c1n(c(cc2c1n(c1c2cccc1)C)c1ccc(cc1)C)c1ccc(OC)cc1
• Title of publication: Reactivity of alkynylindole-2-carboxamides in [Pd]-catalysed C-H activation and phase transfer catalysis: formation of pyrrolo-diindolones vs. β-carbolinones.
• Authors of publication: Tulichala, R. N. Prasad; Swamy, K. C. Kumara
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2016
• Journal volume: 14
• Journal issue: 19
• Pages of publication: 4519 - 4533
• a: 11.5059 ± 0.0004 Å
• b: 12.8459 ± 0.0006 Å
• c: 15.602 ± 0.0008 Å
• α: 106.081 ± 0.004°
• β: 93.226 ± 0.004°
• γ: 109.728 ± 0.004°
• Cell volume: 2056.95 ± 0.18 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.06
• Residual factor for significantly intense reflections: 0.0488
• Weighted residual factors for significantly intense reflections: 0.1277
• Weighted residual factors for all reflections included in the refinement: 0.1402
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No