Information card for entry 7132904

Structure parameters

• Formula: C23 H16 N2 O
• Calculated formula: C23 H16 N2 O
• SMILES: c1(c(c2cccc(c2[nH]1)C=O)c1ccccc1)c1c(cccc1)CC#N
• Title of publication: Synthesis of two nitrogen-containing polyaromatic compounds through gold catalysis/DBU-promoted cyclizations.
• Authors of publication: Sadaphal, Vikas Ashokrao; Wu, Tien-Lin; Liu, Rai-Shung
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2024
• Journal volume: 60
• Journal issue: 32
• Pages of publication: 4294 - 4297
• a: 12.43235 ± 0.00013 Å
• b: 12.20419 ± 0.00015 Å
• c: 11.52302 ± 0.00014 Å
• α: 90°
• β: 102.48 ± 0.0011°
• γ: 90°
• Cell volume: 1707.04 ± 0.04 ų
• Cell temperature: 109 ± 6 K
• Ambient diffraction temperature: 109 ± 6 K
• Number of distinct elements: 4
• 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: 0.0368
• Residual factor for significantly intense reflections: 0.0337
• Weighted residual factors for significantly intense reflections: 0.0869
• Weighted residual factors for all reflections included in the refinement: 0.089
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No