Information card for entry 4038826

Structure parameters

• Formula: C42 H30 F12 N2
• Calculated formula: C42 H30 F12 N2
• Title of publication: Method for the Large-Scale Synthesis of Multifunctional 1,4-Dihydro-pyrrolo[3,2-<i>b</i>]pyrroles.
• Authors of publication: Tasior, Mariusz; Vakuliuk, Olena; Koga, Daiki; Koszarna, Beata; Górski, Krzysztof; Grzybowski, Marek; Kielesiński, Łukasz; Krzeszewski, Maciej; Gryko, Daniel T.
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2020
• a: 6.0701 ± 0.0001 Å
• b: 25.7968 ± 0.0006 Å
• c: 10.8547 ± 0.0003 Å
• α: 90°
• β: 97.551 ± 0.002°
• γ: 90°
• Cell volume: 1684.99 ± 0.07 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 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: 0.0421
• Residual factor for significantly intense reflections: 0.0349
• Weighted residual factors for significantly intense reflections: 0.0911
• Weighted residual factors for all reflections included in the refinement: 0.0971
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No