Information card for entry 7234509

Structure parameters

• Formula: C9 H20 N2 O4
• Calculated formula: C9 H20 N2 O4
• Title of publication: Thermodynamics, Crystal structure, and Characterization of Bio-based Nylon 54 monomer.
• Authors of publication: Yang, Pengpeng; Li, Xiaojie; Liu, Haodong; Li, Zihan; Liu, Jun; Zhuang, Wei; Wu, Jianglan; Ying, Hanjie
• Journal of publication: CrystEngComm
• Year of publication: 2019
• a: 10.6508 ± 0.0009 Å
• b: 14.5943 ± 0.0013 Å
• c: 7.9248 ± 0.0006 Å
• α: 90°
• β: 107.384 ± 0.003°
• γ: 90°
• Cell volume: 1175.57 ± 0.17 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0763
• Residual factor for significantly intense reflections: 0.0547
• Weighted residual factors for significantly intense reflections: 0.1493
• Weighted residual factors for all reflections included in the refinement: 0.1655
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No