Information card for entry 8106414

Structure parameters

• Formula: C14 H8 N6 O2
• Calculated formula: C14 H8 N6 O2
• Title of publication: Crystal structure of 3,3′-di(furan-2-yl)-5,5′-bi-1,2,4-triazine
• Authors of publication: Karczmarzyk, Zbigniew; Branowska, Danuta; Wysocki, Waldemar; Bancerz, Ilona; Urbańczyk-Lipkowska, Zofia
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2017
• Journal volume: 232
• Journal issue: 1
• Pages of publication: 11 - 12
• a: 9.2129 ± 0.0018 Å
• b: 5.0321 ± 0.001 Å
• c: 13.76 ± 0.003 Å
• α: 90°
• β: 100.02 ± 0.03°
• γ: 90°
• Cell volume: 628.2 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0486
• Residual factor for significantly intense reflections: 0.0416
• Weighted residual factors for significantly intense reflections: 0.1045
• Weighted residual factors for all reflections included in the refinement: 0.1115
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No