Information card for entry 2013397

Structure parameters

• Chemical name: bis(3-cyanofurazan-4-yl) ether
• Formula: C6 N6 O3
• Calculated formula: C6 N6 O3
• SMILES: N#Cc1nonc1Oc1nonc1C#N
• 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: 13.639 ± 0.003 Å
• b: 8.899 ± 0.002 Å
• c: 6.9254 ± 0.0017 Å
• α: 90°
• β: 97.13 ± 0.02°
• γ: 90°
• Cell volume: 834.1 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• 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: 0.039
• Residual factor for significantly intense reflections: 0.0341
• Weighted residual factors for significantly intense reflections: 0.0992
• Weighted residual factors for all reflections included in the refinement: 0.1014
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes