Information card for entry 7235488

Structure parameters

• Formula: C16 H18 N2 O6
• Calculated formula: C16 H18 N2 O6
• Title of publication: Microwave assisted synthesis, crystal structure and modelling of cytotoxic dehydroacetic acid enamine: a natural alkaloid from Fusarium incarnatum (HKI0504)
• Authors of publication: Seijas, Julio A.; Crecente-Campo, José; Feás, Xesús; Vázquez-Tato, M. Pilar
• Journal of publication: RSC Adv.
• Year of publication: 2014
• Journal volume: 4
• Journal issue: 33
• Pages of publication: 17054
• a: 6.65 ± 0.003 Å
• b: 8.898 ± 0.004 Å
• c: 13.97 ± 0.006 Å
• α: 92.24 ± 0.02°
• β: 98.98 ± 0.02°
• γ: 111.168 ± 0.019°
• Cell volume: 757.3 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.1713
• Residual factor for significantly intense reflections: 0.0706
• Weighted residual factors for significantly intense reflections: 0.1431
• Weighted residual factors for all reflections included in the refinement: 0.1889
• Goodness-of-fit parameter for all reflections included in the refinement: 0.997
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No