Information card for entry 7156759

Structure parameters

• Formula: C68 H56 B Cu2 F4 N8 O4
• Calculated formula: C68 H56 B Cu2 F4 N8 O4
• Title of publication: Substituent-controlled racemization of dissymmetric coordination capsules.
• Authors of publication: Harada, Kentaro; Sekiya, Ryo; Maehara, Takeshi; Haino, Takeharu
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2019
• Journal volume: 17
• Journal issue: 19
• Pages of publication: 4729 - 4735
• a: 10.868 ± 0.01 Å
• b: 15.852 ± 0.015 Å
• c: 21.43 ± 0.02 Å
• α: 74.499 ± 0.01°
• β: 79.884 ± 0.01°
• γ: 87.811 ± 0.01°
• Cell volume: 3502 ± 6 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2041
• Residual factor for significantly intense reflections: 0.1819
• Weighted residual factors for significantly intense reflections: 0.4678
• Weighted residual factors for all reflections included in the refinement: 0.4807
• Goodness-of-fit parameter for all reflections included in the refinement: 1.873
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No