Information card for entry 7241321

Structure parameters

• Formula: C35 H26.5 N2 O4.5
• Calculated formula: C35 H26.5 N2 O4.5
• SMILES: c1(ccccc1OCC#C)C(=O)N/N=C(\c1ccccc1)c1cc(c(c2ccccc2)o1)C(=O)c1ccccc1.C(C)O
• Title of publication: Gold(iii) promoted formation of dihydroquinazolinones: double X–H activation by gold
• Authors of publication: Kadiyala, Veerabhushanam; Kumar, Perla Bharath; Sunil, Komalla; Raju, Chittala Emmaniel; Sridhar, Balasubramanian; Karunakar, Galla V.
• Journal of publication: RSC Advances
• Year of publication: 2020
• Journal volume: 10
• Journal issue: 59
• Pages of publication: 35681 - 35691
• a: 9.1182 ± 0.0006 Å
• b: 13.8291 ± 0.001 Å
• c: 23.4126 ± 0.0016 Å
• α: 103.581 ± 0.001°
• β: 91.205 ± 0.002°
• γ: 98.758 ± 0.002°
• Cell volume: 2831.3 ± 0.3 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 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: 0.1601
• Residual factor for significantly intense reflections: 0.0774
• Weighted residual factors for significantly intense reflections: 0.1557
• Weighted residual factors for all reflections included in the refinement: 0.2035
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No