Information card for entry 2010199

Structure parameters

• Formula: C16 H13 N O5
• Calculated formula: C16 H13 N O5
• Title of publication: 3-[5-(2-Nitrophenyl)furfurylidene]-2,4-pentanedione
• Authors of publication: Vrábel, V.; Lokaj, J.; Sivý, J.; Ilavský, D; Bartovic, A.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1994
• Journal volume: 50
• Journal issue: 11
• Pages of publication: 1777 - 1779
• a: 8.243 ± 0.01 Å
• b: 8.717 ± 0.009 Å
• c: 10.652 ± 0.009 Å
• α: 67.91 ± 0.07°
• β: 81.73 ± 0.09°
• γ: 74.09 ± 0.09°
• Cell volume: 681.3 ± 1.3 ų
• Cell temperature: 293 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 significantly intense reflections: 0.054
• Weighted residual factors for significantly intense reflections: 0.051
• Goodness-of-fit parameter for significantly intense reflections: 0.84
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No