Information card for entry 7132901

Structure parameters

• Formula: C24 H14 N2 O
• Calculated formula: C24 H14 N2 O
• SMILES: c12c(cc3ncc4cccc5c4n3c1c5C(=O)c1ccccc1)cccc2
• 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: 7.6716 ± 0.0001 Å
• b: 9.16801 ± 0.00015 Å
• c: 12.73071 ± 0.00019 Å
• α: 106.171 ± 0.0014°
• β: 91.1629 ± 0.0011°
• γ: 109.967 ± 0.0013°
• Cell volume: 801.64 ± 0.02 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 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: 0.0378
• Residual factor for significantly intense reflections: 0.0358
• Weighted residual factors for significantly intense reflections: 0.0959
• Weighted residual factors for all reflections included in the refinement: 0.0973
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No