Information card for entry 2005315

Structure parameters

• Formula: C13 H12 N2 O5
• Calculated formula: C13 H11.55 N2 O5
• Title of publication: 4-(5-Methyl-1,3,4-oxadiazol-2-yl)-1,3-phenylene Diacetate
• Authors of publication: Vencato, I.; Gallardo, H.; Meyer, E.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 9
• Pages of publication: 2301 - 2303
• a: 5.6286 ± 0.0007 Å
• b: 10.257 ± 0.001 Å
• c: 12.0111 ± 0.0005 Å
• α: 100.924 ± 0.007°
• β: 100.118 ± 0.006°
• γ: 101.45 ± 0.01°
• Cell volume: 650.72 ± 0.11 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0548
• Residual factor for significantly intense reflections: 0.0417
• Weighted residual factors for all reflections: 0.1421
• Weighted residual factors for significantly intense reflections: 0.123
• Goodness-of-fit parameter for all reflections: 1.083
• Goodness-of-fit parameter for significantly intense reflections: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No