Information card for entry 7248554

Structure parameters

• Chemical name: Dimethyl aminoterephthalate,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: 6.7011 ± 0.0002 Å
• b: 9.6663 ± 0.0002 Å
• c: 11.8016 ± 0.0003 Å
• α: 100.928 ± 0.002°
• β: 98.038 ± 0.002°
• γ: 106.164 ± 0.002°
• Cell volume: 705.72 ± 0.03 ų
• Cell temperature: 113.15 K
• Ambient diffraction temperature: 113.15 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: 0.0816
• Residual factor for significantly intense reflections: 0.0591
• Weighted residual factors for significantly intense reflections: 0.1569
• Weighted residual factors for all reflections included in the refinement: 0.1741
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No