Information card for entry 4035126

Structure parameters

• Formula: C229 H355 Cl3 N30 O40 P4
• Calculated formula: C229 H355 Cl3 N30 O40 P4
• Title of publication: Solution-State Anion Recognition, and Structural Studies, of a Series of Electron-Rich meta-Phenylene Bis(phenylurea) Receptors and Their Self-Assembled Structures.
• Authors of publication: Gillen, Dermot M.; Hawes, Chris S.; Gunnlaugsson, Thorfinnur
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2018
• Journal volume: 83
• Journal issue: 17
• Pages of publication: 10398 - 10408
• a: 22.011 ± 0.0007 Å
• b: 22.011 ± 0.0007 Å
• c: 42.9761 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 18031.7 ± 1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 161
• Hermann-Mauguin space group symbol: R 3 c :H
• Hall space group symbol: R 3 -2"c
• Residual factor for all reflections: 0.0792
• Residual factor for significantly intense reflections: 0.055
• Weighted residual factors for significantly intense reflections: 0.1422
• Weighted residual factors for all reflections included in the refinement: 0.1612
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No