Information card for entry 7237134

Structure parameters

• Formula: C6 H4 N8 O6
• Calculated formula: C6 H4 N8 O6
• Title of publication: Boosting energetic performance by trimerizing furoxan
• Authors of publication: He, Chunlin; Gao, Haixiang; Imler, Gregory H.; Parrish, Damon A.; Shreeve, Jean'ne M.
• Journal of publication: Journal of Materials Chemistry A
• Year of publication: 2018
• Journal volume: 6
• Journal issue: 20
• Pages of publication: 9391
• a: 9.5817 ± 0.001 Å
• b: 10.2973 ± 0.0011 Å
• c: 10.5303 ± 0.0011 Å
• α: 90°
• β: 97.562 ± 0.003°
• γ: 90°
• Cell volume: 1029.94 ± 0.19 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• 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: 0.0904
• Residual factor for significantly intense reflections: 0.047
• Weighted residual factors for significantly intense reflections: 0.1007
• Weighted residual factors for all reflections included in the refinement: 0.1182
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No