Information card for entry 7102944

Structure parameters

• Formula: C15 H12 N2 O
• Calculated formula: C15 H12 N2 O
• SMILES: n1c(oc(c1)c1cnccc1)c1ccc(cc1)C
• Title of publication: Direct arylations on water: synthesis of 2,5-disubstituted oxazoles balsoxin and texaline.
• Authors of publication: Ohnmacht, Stephan A; Mamone, Patrizia; Culshaw, Andrew J; Greaney, Michael F
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2008
• Journal issue: 10
• Pages of publication: 1241 - 1243
• a: 6.5552 ± 0.0003 Å
• b: 11.7636 ± 0.0005 Å
• c: 15.7218 ± 0.0007 Å
• α: 85.054 ± 0.003°
• β: 80.312 ± 0.003°
• γ: 81.946 ± 0.003°
• Cell volume: 1180.83 ± 0.09 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0627
• Residual factor for significantly intense reflections: 0.0549
• Weighted residual factors for significantly intense reflections: 0.1205
• Weighted residual factors for all reflections included in the refinement: 0.1242
• Goodness-of-fit parameter for all reflections included in the refinement: 1.169
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No