Information card for entry 7128905

Structure parameters

• Formula: C22 H20 Na O6 P
• Calculated formula: C22 H20 Na O6 P
• Title of publication: A supramolecular double-helix based on complementary phosphate-guanidinium pairing.
• Authors of publication: Thiele, Maike; Octa-Smolin, Frescilia; Thölke, Simon; Wölper, Christoph; Linders, Jürgen; Mayer, Christian; Haberhauer, Gebhard; Niemeyer, Jochen
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2021
• Journal volume: 57
• Journal issue: 77
• Pages of publication: 9842 - 9845
• a: 19.211 ± 0.002 Å
• b: 8.5749 ± 0.0009 Å
• c: 12.3647 ± 0.0013 Å
• α: 90°
• β: 97.328 ± 0.007°
• γ: 90°
• Cell volume: 2020.2 ± 0.4 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 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: 0.1092
• Residual factor for significantly intense reflections: 0.049
• Weighted residual factors for significantly intense reflections: 0.1114
• Weighted residual factors for all reflections included in the refinement: 0.1348
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No