Information card for entry 7132444

Structure parameters

• Formula: C24 H18 N2 O
• Calculated formula: C24 H18 N2 O
• SMILES: N1(c2ccccc2)C(n2c3c(cc2C1=O)cccc3)/C=C/c1ccccc1
• Title of publication: Pd/Brønsted acid catalysed intramolecular <i>N</i>-allylation of indoles and pyrroles with alkynes for the synthesis of N-fused heterocycles.
• Authors of publication: Bhoi, Saswat Ranjan; Debnath, Chhanda; Gandhi, Shikha
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2024
• Journal volume: 60
• Journal issue: 4
• Pages of publication: 428 - 431
• a: 6.3722 ± 0.0005 Å
• b: 13.4572 ± 0.0011 Å
• c: 14.9777 ± 0.0014 Å
• α: 66.406 ± 0.008°
• β: 89.765 ± 0.007°
• γ: 84.766 ± 0.006°
• Cell volume: 1171.35 ± 0.19 ų
• Cell temperature: 101 ± 1 K
• Ambient diffraction temperature: 101 ± 1 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: 0.0617
• Residual factor for significantly intense reflections: 0.0492
• Weighted residual factors for significantly intense reflections: 0.1481
• Weighted residual factors for all reflections included in the refinement: 0.1556
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No