Information card for entry 7121849

Structure parameters

• Formula: C66 H64 O12
• Calculated formula: C66 H64 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: 9.3274 ± 0.0004 Å
• b: 12.0859 ± 0.0005 Å
• c: 12.4207 ± 0.0005 Å
• α: 110.921 ± 0.002°
• β: 90.774 ± 0.002°
• γ: 98.445 ± 0.003°
• Cell volume: 1290.4 ± 0.1 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0555
• Residual factor for significantly intense reflections: 0.0408
• Weighted residual factors for significantly intense reflections: 0.0934
• Weighted residual factors for all reflections included in the refinement: 0.1019
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No