Information card for entry 2013456

Structure parameters

• Common name: 3-phenylanthranil
• Chemical name: 3-Phenyl-2,1-benzoxazole
• Formula: C13 H9 N O
• Calculated formula: C13 H9 N O
• Title of publication: 2-(2,1-Benzoxazol-3-yl)-3,5-dimethoxyphenol and 3-phenyl-2,1-benzoxazole
• Authors of publication: Howie, R. Alan; Jabbar, Abdul; Lewis, John R.; Nizami, Shaikh S.; Ritchie, Craig F.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 9
• Pages of publication: o516 - o519
• a: 12.027 ± 0.013 Å
• b: 10.706 ± 0.014 Å
• c: 31.76 ± 0.03 Å
• α: 90°
• β: 102.11 ± 0.08°
• γ: 90°
• Cell volume: 3998 ± 8 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/c 1
• Hall space group symbol: -I 2yc
• Residual factor for all reflections: 0.1526
• Residual factor for significantly intense reflections: 0.0535
• Weighted residual factors for significantly intense reflections: 0.0909
• Weighted residual factors for all reflections included in the refinement: 0.1234
• 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: Yes
• Has Fobs: Yes