Information card for entry 1547982

Structure parameters

• Formula: C77 H59 N7 O4
• Calculated formula: C75.5 H57.75 N7 O4
• Title of publication: A switchable self-assembling and disassembling chiral system based on a porphyrin-substituted phenylalanine-phenylalanine motif
• Authors of publication: Georgios Charalambidis; Evangelos Georgilis; Manas K. Panda; Christopher E. Anson; Annie K. Powell; Stephen Doyle; David Moss; Tobias Jochum; Peter N. Horton; Simon J. Coles; Mathieu Linares; David Beljonne; Jean-Valere Naubron; Jonas Conradt; Heinz Kalt; Anna Mitraki; Athanassios G. Coutsolelos; Teodor Silviu Balaban
• Journal of publication: Nature Communications
• Year of publication: 2016
• Journal volume: 7
• Pages of publication: 12657
• a: 16.43 ± 0.03 Å
• b: 10.012 ± 0.015 Å
• c: 44.3 ± 0.09 Å
• α: 90°
• β: 95.65 ± 0.08°
• γ: 90°
• Cell volume: 7252 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.5577
• Residual factor for significantly intense reflections: 0.3323
• Weighted residual factors for significantly intense reflections: 0.5374
• Weighted residual factors for all reflections included in the refinement: 0.6531
• Goodness-of-fit parameter for all reflections included in the refinement: 1.586
• Diffraction radiation wavelength: 0.6889 Å
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No