Information card for entry 7129069

Structure parameters

• Formula: C60 H110 N4 O4 Zn5
• Calculated formula: C60 H110 N4 O4 Zn5
• Title of publication: Circular dichroism spectroscopy of catalyst preequilibrium in asymmetric autocatalysis of pyrimidyl alkanol.
• Authors of publication: Matsumoto, Arimasa; Tanaka, Ayame; Kaimori, Yoshiyasu; Hara, Natsuki; Mikata, Yuji; Soai, Kenso
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2021
• Journal volume: 57
• Journal issue: 85
• Pages of publication: 11209 - 11212
• a: 10.823 ± 0.005 Å
• b: 13.099 ± 0.006 Å
• c: 14.027 ± 0.007 Å
• α: 66.034 ± 0.005°
• β: 78.752 ± 0.006°
• γ: 67.832 ± 0.005°
• Cell volume: 1680.8 ± 1.4 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1326
• Residual factor for significantly intense reflections: 0.0964
• Weighted residual factors for significantly intense reflections: 0.2662
• Weighted residual factors for all reflections included in the refinement: 0.3064
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No