Information card for entry 7111823

Structure parameters

• Formula: C80 H130 Cl4 N8 O8 S
• Calculated formula: C80 H130 Cl4 N8 O8 S
• Title of publication: Sulfate templated assembly of neutral receptors in aqueous DMSO ‒ orthogonal versus biplane structures
• Authors of publication: Krzysztof M. Bak; Michal J. Chmielewski
• Journal of publication: Chem.Commun.
• Year of publication: 2014
• Journal volume: 50
• Pages of publication: 1305
• a: 26.289 ± 0.002 Å
• b: 14.5923 ± 0.0006 Å
• c: 24.1216 ± 0.0013 Å
• α: 90°
• β: 114.437 ± 0.007°
• γ: 90°
• Cell volume: 8424.5 ± 1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0914
• Residual factor for significantly intense reflections: 0.0485
• Weighted residual factors for significantly intense reflections: 0.1072
• Weighted residual factors for all reflections included in the refinement: 0.1287
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No