Information card for entry 4519195

Structure parameters

• Formula: C5 H11 N11 O10
• Calculated formula: C5 H11 N11 O10
• Title of publication: Pushing the Limit of Nitro Groups on a Pyrazole Ring with Energy-Stability Balance.
• Authors of publication: Singh, Jatinder; Staples, Richard J.; Shreeve, Jean'ne M.
• Journal of publication: ACS applied materials & interfaces
• Year of publication: 2021
• Journal volume: 13
• Journal issue: 51
• Pages of publication: 61357 - 61364
• a: 8.7988 ± 0.0003 Å
• b: 9.7297 ± 0.0004 Å
• c: 9.9474 ± 0.0005 Å
• α: 60.694 ± 0.005°
• β: 69.675 ± 0.004°
• γ: 70.204 ± 0.004°
• Cell volume: 681.4 ± 0.06 ų
• Cell temperature: 100 ± 0.2 K
• Ambient diffraction temperature: 100 ± 0.2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0613
• Residual factor for significantly intense reflections: 0.0589
• Weighted residual factors for significantly intense reflections: 0.1768
• Weighted residual factors for all reflections included in the refinement: 0.1787
• Goodness-of-fit parameter for all reflections included in the refinement: 1.106
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No