Information card for entry 7123926

Structure parameters

• Chemical name: 1,1'-((butylimino)methylene)bis(pyrrolidine-2,5-dione)
• Formula: C13 H17 N3 O4
• Calculated formula: C13 H17 N3 O4
• Title of publication: Guanidine cyclic diimides and their polymers
• Authors of publication: An, Taeyang; Kang, Byeongwoo; Kang, Sunyoung; Pac, Jinyoung; Youk, Jihea; Lin, Dian; Lee, Yan
• Journal of publication: Chemical Communications
• Year of publication: 2019
• a: 9.6944 ± 0.0001 Å
• b: 8.7306 ± 0.0001 Å
• c: 16.4787 ± 0.0002 Å
• α: 90°
• β: 94.1674 ± 0.0008°
• γ: 90°
• Cell volume: 1391.04 ± 0.03 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.065
• Residual factor for significantly intense reflections: 0.0525
• Weighted residual factors for significantly intense reflections: 0.1386
• Weighted residual factors for all reflections included in the refinement: 0.1472
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No