Information card for entry 7241320

Structure parameters

• Formula: C31 H22 N2 O3
• Calculated formula: C31 H22 N2 O3
• SMILES: C1(c2ccccc2)(c2cc(c(c3ccccc3)o2)C(=O)c2ccccc2)NC(=O)c2ccccc2N1
• 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: 8.2197 ± 0.0002 Å
• b: 10.4608 ± 0.0002 Å
• c: 14.4752 ± 0.0003 Å
• α: 77.0948 ± 0.0008°
• β: 79.6924 ± 0.0008°
• γ: 81.5655 ± 0.0009°
• Cell volume: 1186.21 ± 0.04 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: 0.1111
• Residual factor for significantly intense reflections: 0.0634
• Weighted residual factors for significantly intense reflections: 0.1459
• Weighted residual factors for all reflections included in the refinement: 0.1669
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No