Information card for entry 7122046

Structure parameters

• Formula: C4 H6 N6 O6
• Calculated formula: C4 H6 N6 O6
• Title of publication: A simple and versatile strategy for taming FOX-7.
• Authors of publication: Yan, Chao; Yang, Hongwei; Qi, Xiujuan; Jin, Yunhe; Wang, Kangcai; Liu, Tianlin; Tian, Junjun; Nie, Fude; Cheng, Guangbin; Zhang, Qinghua
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2018
• Journal volume: 54
• Journal issue: 67
• Pages of publication: 9333 - 9336
• a: 8.821 ± 0.0019 Å
• b: 9.509 ± 0.002 Å
• c: 19.681 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1650.8 ± 0.6 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1098
• Residual factor for significantly intense reflections: 0.0619
• Weighted residual factors for significantly intense reflections: 0.1536
• Weighted residual factors for all reflections included in the refinement: 0.1835
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No