Information card for entry 4517825

Structure parameters

• Formula: C14 H34 N16 O10 S4
• Calculated formula: C14 H34 N16 O10 S4
• Title of publication: Derivatives of 3,6-Bis(3-aminofurazan-4-ylamino)-1,2,4,5-tetrazine: Excellent Energetic Properties with Lower Sensitivities.
• Authors of publication: Yu, Qiong; Yang, Hongwei; Imler, Gregory H.; Parrish, Damon A.; Cheng, Guangbin; Shreeve, Jean'ne M.
• Journal of publication: ACS applied materials & interfaces
• Year of publication: 2020
• a: 7.6145 ± 0.0003 Å
• b: 10.1856 ± 0.0004 Å
• c: 12.0493 ± 0.0005 Å
• α: 106.642 ± 0.001°
• β: 100.474 ± 0.001°
• γ: 111.18 ± 0.001°
• Cell volume: 791.19 ± 0.06 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0876
• Residual factor for significantly intense reflections: 0.0469
• Weighted residual factors for significantly intense reflections: 0.1121
• Weighted residual factors for all reflections included in the refinement: 0.1327
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No