Information card for entry 4135307

Structure parameters

• Formula: C38 H31 B Br3 I2 N3 O
• Calculated formula: C38 H31 B Br3 I2 N3 O
• Title of publication: Post-Synthetically Elaborated BODIPY-based Porous Organic Polymers (POPs) for Photochemical Detoxification of a Sulfur Mustard Simulant.
• Authors of publication: Atilgan, Ahmet; Cetin, M. Mustafa; Yu, Jierui; Beldjoudi, Yassine; Liu, Jian; Stern, Charlotte L.; Cetin, Furkan M.; Islamoglu, Timur; Farha, Omar K.; Deria, Pravas; Stoddart, J. Fraser; Hupp, Joseph T.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2020
• a: 17.398 ± 0.003 Å
• b: 23.989 ± 0.004 Å
• c: 9.6741 ± 0.0012 Å
• α: 90°
• β: 112.936 ± 0.01°
• γ: 90°
• Cell volume: 3718.4 ± 1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 99.93 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0719
• Residual factor for significantly intense reflections: 0.0589
• Weighted residual factors for significantly intense reflections: 0.15
• Weighted residual factors for all reflections included in the refinement: 0.1597
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No