Information card for entry 2013398

Structure parameters

• Chemical name: 3-cyanofurazanyl 3-nitrofurazanyl ether
• Formula: C5 N6 O5
• Calculated formula: C5 N6 O5
• SMILES: N#Cc1nonc1Oc1nonc1N(=O)=O
• Title of publication: Four 3-cyanodifurazanyl ethers: potential propellants
• Authors of publication: Averkiev, Boris B.; Antipin, Mikhail Yu.; Sheremetev, Aleksey B.; Timofeeva, Tatiana V.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 7
• Pages of publication: o383 - o387
• a: 7.853 ± 0.002 Å
• b: 8.791 ± 0.002 Å
• c: 12.229 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 844.2 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0559
• Residual factor for significantly intense reflections: 0.0451
• Weighted residual factors for significantly intense reflections: 0.1173
• Weighted residual factors for all reflections included in the refinement: 0.1207
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes