Information card for entry 7121850

Structure parameters

• Formula: C67 H66 Cl2 O12
• Calculated formula: C67 H66 Cl2 O12
• Title of publication: Allosteric cooperativity in ternary complexes with low symmetry.
• Authors of publication: Chai, Hongxin; Yang, Liu-Pan; Ke, Hua; Pang, Xin-Yu; Jiang, Wei
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2018
• Journal volume: 54
• Journal issue: 55
• Pages of publication: 7677 - 7680
• a: 12.3158 ± 0.0004 Å
• b: 12.769 ± 0.0004 Å
• c: 19.5858 ± 0.0006 Å
• α: 85.884 ± 0.002°
• β: 73.714 ± 0.002°
• γ: 80.961 ± 0.002°
• Cell volume: 2918.52 ± 0.16 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1085
• Residual factor for significantly intense reflections: 0.0643
• Weighted residual factors for significantly intense reflections: 0.1889
• Weighted residual factors for all reflections included in the refinement: 0.2367
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No