Information card for entry 7121169

Structure parameters

• Formula: C32 H36 N4 O5 S
• Calculated formula: C32 H36 N4 O5 S
• Title of publication: Fluorescent squaramides as anion receptors and transmembrane anion transporters.
• Authors of publication: Bao, Xiaoping; Wu, Xin; Berry, Stuart N.; Howe, Ethan N. W.; Chang, Young-Tae; Gale, Philip A.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2018
• Journal volume: 54
• Journal issue: 11
• Pages of publication: 1363 - 1366
• a: 19.7577 ± 0.0008 Å
• b: 9.1446 ± 0.0003 Å
• c: 16.6909 ± 0.0004 Å
• α: 90°
• β: 103.132 ± 0.004°
• γ: 90°
• Cell volume: 2936.79 ± 0.18 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.125
• Residual factor for significantly intense reflections: 0.0796
• Weighted residual factors for significantly intense reflections: 0.1783
• Weighted residual factors for all reflections included in the refinement: 0.2038
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No