Information card for entry 7131339

Structure parameters

• Formula: C24 H18 N2 O5
• Calculated formula: C24 H18 N2 O5
• SMILES: c1(ccccc1C(=O)OCC)C(C#N)c1c(cccc1)C(=O)c1ccc(cc1)N(=O)=O
• Title of publication: Substitution controlled aryne insertion: synthesis of diarylmethane/chromones.
• Authors of publication: Dhanaji, Jadhav Rahul; Samatha, Polasani; Raju, Silver; Mainkar, Prathama S.; Adepu, Raju; Chandrasekhar, Srivari
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2023
• Journal volume: 59
• Journal issue: 18
• Pages of publication: 2648 - 2651
• a: 8.1443 ± 0.0005 Å
• b: 9.6794 ± 0.0006 Å
• c: 13.0717 ± 0.0008 Å
• α: 81.178 ± 0.002°
• β: 89.732 ± 0.003°
• γ: 83.318 ± 0.002°
• Cell volume: 1011.27 ± 0.11 ų
• Cell temperature: 303 ± 2 K
• Ambient diffraction temperature: 303 ± 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: 0.1567
• Residual factor for significantly intense reflections: 0.0558
• Weighted residual factors for significantly intense reflections: 0.1315
• Weighted residual factors for all reflections included in the refinement: 0.1751
• Goodness-of-fit parameter for all reflections included in the refinement: 0.997
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No