Information card for entry 7245398

Structure parameters

• Formula: C19 H20 N2 O6
• Calculated formula: C19 H20 N2 O6
• Title of publication: A direct Diels–Alder reaction of chitin derived 3-acetamido-5-acetylfuran
• Authors of publication: Pereira, Juliana G.; Ravasco, João M. J. M.; Vale, João R.; Queda, Fausto; Gomes, Rafael F. A.
• Journal of publication: Green Chemistry
• Year of publication: 2022
• Journal volume: 24
• Journal issue: 18
• Pages of publication: 7131 - 7136
• a: 6.4061 ± 0.0014 Å
• b: 11.99 ± 0.003 Å
• c: 12.381 ± 0.003 Å
• α: 96.571 ± 0.008°
• β: 104.937 ± 0.006°
• γ: 105.103 ± 0.005°
• Cell volume: 870.1 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.165
• Residual factor for significantly intense reflections: 0.0751
• Weighted residual factors for significantly intense reflections: 0.1548
• Weighted residual factors for all reflections included in the refinement: 0.1761
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No