Information card for entry 7244803

Structure parameters

• Formula: C24 H39 N6 O7 S2
• Calculated formula: C24 H38 N6 O7 S2
• Title of publication: Hybrid interaction network of guanidinium-biphenyldisulfonic acid for the structure determination of liquid molecules
• Authors of publication: Qin, Shu-Qin; Gan, Qian-Ying; Xu, Wei; Jiang, Ren-Wang
• Journal of publication: CrystEngComm
• Year of publication: 2022
• a: 39.275 ± 0.009 Å
• b: 12.1367 ± 0.0013 Å
• c: 7.323 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3490.6 ± 1 ų
• Cell temperature: 99.97 ± 0.14 K
• Ambient diffraction temperature: 99.97 ± 0.14 K
• Number of distinct elements: 5
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for all reflections: 0.1755
• Residual factor for significantly intense reflections: 0.1514
• Weighted residual factors for significantly intense reflections: 0.381
• Weighted residual factors for all reflections included in the refinement: 0.4012
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No