Information card for entry 2009950

Structure parameters

• Formula: C15 H13 N O4
• Calculated formula: C15 H13 N O4
• Title of publication: 2-(3-Benzyloxy-4-nitrophenyl)oxirane, an intermediate in the synthesis of formoterol
• Authors of publication: Chandra Mohan, K.; Ravikumar, K.; Vittal, T. V. S. K.; Gido, C. K.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1994
• Journal volume: 50
• Journal issue: 8
• Pages of publication: 1294 - 1295
• a: 19.531 ± 0.003 Å
• b: 19.531 ± 0.003 Å
• c: 14.131 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5390.4 ± 1.6 ų
• Cell temperature: 293 K
• Number of distinct elements: 4
• Hermann-Mauguin space group symbol: I 41/a
• Hall space group symbol: -I 4ad
• Residual factor for significantly intense reflections: 0.05
• Weighted residual factors for significantly intense reflections: 0.058
• Goodness-of-fit parameter for significantly intense reflections: 1.15
• Diffraction radiation wavelength: 0.71063 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No