Information card for entry 7248555

Structure parameters

• Chemical name: dimethyl 5-aminoisophthalate, 1,2,4,5-tetracyanobenzene
• Formula: C30 H24 N6 O8
• Calculated formula: C30 H24 N6 O8
• Title of publication: Modulation of Luminescent Properties of Cocrystals Composed of Amino Substituted Dimethyl Phthalates and 1,2,4,5-Tetracyanobenzene by Crystal Engineering
• Authors of publication: Zhang, Xiaokai; Li, Zhonghua; Han, Rui; Lin, Jiawei; Li, Maolin; Zhou, Jianmin; Wu, Songgu; Gong, Junbo
• Journal of publication: CrystEngComm
• Year of publication: 2024
• a: 7.6502 ± 0.0003 Å
• b: 22.7523 ± 0.0007 Å
• c: 18.216 ± 0.0005 Å
• α: 90°
• β: 101.461 ± 0.003°
• γ: 90°
• Cell volume: 3107.45 ± 0.18 ų
• Cell temperature: 113.15 K
• Ambient diffraction temperature: 113.15 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: 0.1184
• Residual factor for significantly intense reflections: 0.0891
• Weighted residual factors for significantly intense reflections: 0.2337
• Weighted residual factors for all reflections included in the refinement: 0.2585
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No