Information card for entry 7230890

Structure parameters

• Formula: C8 H7 N O4
• Calculated formula: C8 H7 N O4
• Title of publication: Enhancement of dissipated energy by large bending of an organic single crystal undergoing twinning deformation
• Authors of publication: Mir, Sajjad Husain; Takasaki, Yuichi; Engel, Emile R.; Takamizawa, Satoshi
• Journal of publication: RSC Advances
• Year of publication: 2018
• Journal volume: 8
• Journal issue: 39
• Pages of publication: 21933
• a: 7.611 ± 0.015 Å
• b: 10.47 ± 0.02 Å
• c: 10.55 ± 0.02 Å
• α: 89.45 ± 0.03°
• β: 81.87 ± 0.03°
• γ: 76.75 ± 0.03°
• Cell volume: 810 ± 3 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 ± 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: 0.1034
• Residual factor for significantly intense reflections: 0.0601
• Weighted residual factors for significantly intense reflections: 0.1588
• Weighted residual factors for all reflections included in the refinement: 0.1786
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No