Information card for entry 7059428

Structure parameters

• Formula: C14 H16 N10 O8 S2
• Calculated formula: C14 H16 N10 O8 S2
• Title of publication: 1,3,4-Oxadiazole based thermostable energetic materials: synthesis and structure–property relationship
• Authors of publication: Yan, Tingou; Cheng, Guangbin; Yang, Hongwei
• Journal of publication: New Journal of Chemistry
• Year of publication: 2020
• Journal volume: 44
• Journal issue: 16
• Pages of publication: 6643 - 6651
• a: 6.5043 ± 0.0003 Å
• b: 8.5821 ± 0.0004 Å
• c: 10.4247 ± 0.0004 Å
• α: 67.98 ± 0.002°
• β: 87.727 ± 0.002°
• γ: 84.136 ± 0.001°
• Cell volume: 536.64 ± 0.04 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0418
• Residual factor for significantly intense reflections: 0.0337
• Weighted residual factors for significantly intense reflections: 0.0747
• Weighted residual factors for all reflections included in the refinement: 0.0797
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No