Information card for entry 1565905

Structure parameters

• Common name: Pyrenodipyrrole dianion
• Formula: C40.5 H24 Cl N5 P
• Calculated formula: C40.5 H24 Cl N5 P
• Title of publication: Facile Synthesis of Ambient Stable Pyreno[4,5-b]pyrrole Monoanion and Pyreno[4,5-b:9,10-b’]dipyrrole Dianion: From Serendipity to Design
• Authors of publication: Kumar, sharvan; Yoshida, Kohshi; Hattori, Yusuke; Higashino, Tomohiro; Imahori, Hiroshi; Seki, Shu
• Journal of publication: Chemical Science
• Year of publication: 2022
• a: 7.529 ± 0.002 Å
• b: 30.222 ± 0.009 Å
• c: 13.985 ± 0.004 Å
• α: 90°
• β: 92.77 ± 0.004°
• γ: 90°
• Cell volume: 3178.4 ± 1.6 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1364
• Residual factor for significantly intense reflections: 0.0889
• Weighted residual factors for significantly intense reflections: 0.2445
• Weighted residual factors for all reflections included in the refinement: 0.267
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No