Information card for entry 2108597

Structure parameters

• Formula: C20 H16 N8 O10
• Calculated formula: C20 H16 N8 O10
• Title of publication: Crystal structures of two furazidin polymorphs revealed by a joint effort of crystal structure prediction and NMR crystallography
• Authors of publication: Dudek, Marta K.; Paluch, Piotr; Pindelska, Edyta
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2020
• Journal volume: 76
• Journal issue: 3
• a: 22.183 ± 0.022 Å
• b: 12.546 ± 0.007 Å
• c: 5.3092 ± 0.0016 Å
• α: 51.074 ± 0.003°
• β: 92.16 ± 0.03°
• γ: 97.31 ± 0.11°
• Cell volume: 1138.5 ± 1.4 ų
• Cell temperature: 300 K
• Ambient diffraction temperature: 300 K
• Ambient diffracton pressure: 100 kPa
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Weighted residual factors for significantly intense reflections: 0.1323
• RFsqd: 0
• Goodness-of-fit parameter for all reflections: 10.274
• Method of determination: powder diffraction
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.5405 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes