Information card for entry 4504977

Structure parameters

• Common name: 4,4'-di(morpholin-1-yl)azoxyfurazan
• Chemical name: 4-{4-[(E)-(4-morpholin-4-yl-1,2,5-oxadiazol-3-yl)diazenyl]- 1,2,5-oxadiazol-3-yl}morpholine
• Formula: C12 H16 N8 O5
• Calculated formula: C12 H16 N8 O5
• SMILES: c1(nonc1N(=O)=Nc1nonc1N1CCOCC1)N1CCOCC1
• 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: 6.7202 ± 0.0014 Å
• b: 8.4002 ± 0.0017 Å
• c: 13.938 ± 0.003 Å
• α: 94.599 ± 0.017°
• β: 101.385 ± 0.016°
• γ: 94.682 ± 0.016°
• Cell volume: 765 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0763
• Residual factor for significantly intense reflections: 0.0428
• Weighted residual factors for significantly intense reflections: 0.098
• Weighted residual factors for all reflections included in the refinement: 0.1052
• Goodness-of-fit parameter for all reflections included in the refinement: 0.929
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No