Information card for entry 7117624

Structure parameters

• Common name: PyrDI
• Chemical name: pyrene-1,2:6,7-tetracarboxylic diimides
• Formula: C26 H20 N2 O4
• Calculated formula: C26 H20 N2 O4
• Title of publication: Toward electron-deficient pyrene derivatives: construction of pyrene tetracarboxylic diimide containing five-membered imide rings.
• Authors of publication: Zou, Lin; Wang, Xiao-Ye; Zhang, Xiao-Xiao; Dai, Ya-Zhong; Wu, Yun-Dong; Wang, Jie-Yu; Pei, Jian
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2015
• Journal volume: 51
• Journal issue: 63
• Pages of publication: 12585 - 12588
• a: 7.361 ± 0.0005 Å
• b: 8.3907 ± 0.0005 Å
• c: 16.3626 ± 0.001 Å
• α: 80.826 ± 0.005°
• β: 89.447 ± 0.005°
• γ: 85.419 ± 0.005°
• Cell volume: 994.5 ± 0.11 ų
• Cell temperature: 180 ± 0.1 K
• Ambient diffraction temperature: 180 ± 0.1 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: 0.067
• Residual factor for significantly intense reflections: 0.0509
• Weighted residual factors for significantly intense reflections: 0.1253
• Weighted residual factors for all reflections included in the refinement: 0.1363
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No