Information card for entry 4504975

Structure parameters

• Common name: 4,4'-dimethylazoxyfurazan
• Chemical name: 3-methyl-4-[(E)-(4-methyl-1,2,5-oxadiazol-3-yl)diazenyl]-1,2,5-oxadiazole
• Formula: C6 H6 N6 O3
• Calculated formula: C6 H6 N6 O3
• Title of publication: Computer Simulation of Crystal Structure for Three Furazan Derivatives
• Authors of publication: Averkiev, Boris B.; Antipin, Mikhail Yu.; Sheremetev, Aleksey B.; Timofeeva, Tatiana V.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2005
• Journal volume: 5
• Journal issue: 2
• Pages of publication: 631
• a: 6.947 ± 0.002 Å
• b: 6.246 ± 0.002 Å
• c: 10.76 ± 0.003 Å
• α: 90°
• β: 104.23 ± 0.02°
• γ: 90°
• Cell volume: 452.6 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.0748
• Residual factor for significantly intense reflections: 0.0442
• Weighted residual factors for significantly intense reflections: 0.1261
• Weighted residual factors for all reflections included in the refinement: 0.1328
• Goodness-of-fit parameter for all reflections included in the refinement: 0.984
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No