Information card for entry 1569942

Structure parameters

• Formula: C37 H43 B F4 N4
• Calculated formula: C37 H43 B F4 N4
• Title of publication: Broadening the catalytic region from the cavity to windows by M₆L₁₂ nanospheres in cyclizations.
• Authors of publication: Xu, Meiling; Sun, Bin; Poole, 3rd, David A; Bobylev, Eduard O.; Jing, Xu; Wu, Jinguo; He, Cheng; Duan, Chunying; Reek, Joost N. H.
• Journal of publication: Chemical science
• Year of publication: 2023
• Journal volume: 14
• Journal issue: 42
• Pages of publication: 11699 - 11707
• a: 9.4122 ± 0.0004 Å
• b: 15.2241 ± 0.0006 Å
• c: 24.3198 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3484.8 ± 0.2 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0771
• Residual factor for significantly intense reflections: 0.0639
• Weighted residual factors for significantly intense reflections: 0.1631
• Weighted residual factors for all reflections included in the refinement: 0.1706
• Goodness-of-fit parameter for all reflections included in the refinement: 1.213
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No