Information card for entry 7060641

Structure parameters

• Chemical name: 2-phenylquinazolin
• Formula: C14 H10 N2
• Calculated formula: C14 H10 N2
• SMILES: n1c(c2ccccc2)ncc2c1cccc2
• Title of publication: Mn(iii)-mediated cascade cyclization of 1-(azidomethyl)-2-isocyanoarenes with organoboronic acids: construction of quinazoline derivatives
• Authors of publication: Kumar, Gujjenahalli Ramalingaiah Yogesh; Begum, Noor Shahina
• Journal of publication: New Journal of Chemistry
• Year of publication: 2021
• Journal volume: 45
• Journal issue: 22
• Pages of publication: 9811 - 9817
• a: 18.604 ± 0.005 Å
• b: 5.0525 ± 0.0012 Å
• c: 11.244 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1056.9 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 3
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0503
• Residual factor for significantly intense reflections: 0.0385
• Weighted residual factors for significantly intense reflections: 0.0994
• Weighted residual factors for all reflections included in the refinement: 0.1094
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No