Information card for entry 2014106

Structure parameters

• Common name: 4-[2-(2-{2-[(4-amino-1,2,5-oxadiazol-3-yl)oxy]ethoxy}ethoxy)ethoxy]- 1,2,5-oxadiazol-3-amine
• Chemical name: 1,8-bis(5-aminofurazan-4-yloxy)-3,6-dioxaoctane
• Formula: C10 H16 N6 O6
• Calculated formula: C10 H16 N6 O6
• SMILES: O(c1c(N)non1)CCOCCOCCOc1c(N)non1
• Title of publication: Difurazano[3,4-<i>b</i>:3',4'-<i>f</i>]-4,5-diaza-1,8-dioxacyclododecine and an acyclic analogue
• Authors of publication: Averkiev, Boris B.; Timofeeva, Tatiana V.; Sheremetev, Aleksey B.; Shatunova, Elena V.; Antipin, Mikhail Yu.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 7
• Pages of publication: o520 - o523
• a: 31.363 ± 0.006 Å
• b: 6.055 ± 0.0012 Å
• c: 15.724 ± 0.003 Å
• α: 90°
• β: 98.34 ± 0.03°
• γ: 90°
• Cell volume: 2954.5 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.064
• Residual factor for significantly intense reflections: 0.0356
• Weighted residual factors for significantly intense reflections: 0.096
• Weighted residual factors for all reflections included in the refinement: 0.1092
• Goodness-of-fit parameter for all reflections included in the refinement: 0.997
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes