Information card for entry 2013400

Structure parameters

• Chemical name: bis[3-(3-cyanofurazan-4-yloxy)furazan-4-yl]diazene
• Formula: C10 N12 O6
• Calculated formula: C10 N12 O6
• SMILES: N#Cc1nonc1Oc1nonc1/N=N/c1nonc1Oc1nonc1C#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: 6.43 ± 0.0013 Å
• b: 13.709 ± 0.003 Å
• c: 17.134 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1510.3 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0556
• Residual factor for significantly intense reflections: 0.0404
• Weighted residual factors for significantly intense reflections: 0.1011
• Weighted residual factors for all reflections included in the refinement: 0.1107
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes