Information card for entry 7245512

Structure parameters

• Common name: 1,5-Diaminopentane 1,2-phthalicacid?1,5-Pentanediamine1,2-dicarboxybenzene
• Chemical name: 1,5-Pentanediamine 1,2-phthalicacid
• Formula: C27 H44 N4 O9
• Calculated formula: C27 H44 N4 O9
• Title of publication: Discovering Crystal Forms of the Bio-based Nylon 5O Monomer 1,5-pentanediamine-O-phthalate: Insight into the Crystal Structures, Transformations and Stability
• Authors of publication: Li, Zihan; Fang, Xincao; Yang, Pengpeng; Li, Shushu; Wen, Qingshi; Zhuang, Wei; Wu, Jianglan; Zhu, Chenjie; Ying, Hanjie
• Journal of publication: CrystEngComm
• Year of publication: 2022
• a: 9.4676 ± 0.0008 Å
• b: 11.6199 ± 0.0009 Å
• c: 14.6569 ± 0.0011 Å
• α: 90.349 ± 0.001°
• β: 99.391 ± 0.002°
• γ: 109.501 ± 0.003°
• Cell volume: 1496.4 ± 0.2 ų
• Cell temperature: 298 ± 2 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: 0.0832
• Residual factor for significantly intense reflections: 0.0572
• Weighted residual factors for significantly intense reflections: 0.1574
• Weighted residual factors for all reflections included in the refinement: 0.1737
• 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: Yes
• Has Fobs: No