Information card for entry 1554960

Structure parameters

• Formula: C180 H112 B4 D84 N4 O34 S14
• Calculated formula: C179.868 H112 B4 D83.604 N4 O33.934 S13.934
• Title of publication: Nestable Tetrakis(spiroborate) Nanocycles.
• Authors of publication: Danjo, Hiroshi; Hashimoto, Yuhki; Kidena, Yuki; Nogamine, Ayumi; Katagiri, Kosuke; Kawahata, Masatoshi; Miyazawa, Toshifumi; Yamaguchi, Kentaro
• Journal of publication: Organic letters
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 9
• Pages of publication: 2154 - 2157
• a: 16.67 ± 0.003 Å
• b: 17.44 ± 0.004 Å
• c: 19.659 ± 0.004 Å
• α: 81.21 ± 0.03°
• β: 74.06 ± 0.03°
• γ: 62.19 ± 0.03°
• Cell volume: 4859 ± 2 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.2091
• Residual factor for significantly intense reflections: 0.1643
• Weighted residual factors for significantly intense reflections: 0.4341
• Weighted residual factors for all reflections included in the refinement: 0.4745
• Goodness-of-fit parameter for all reflections included in the refinement: 1.787
• Diffraction radiation wavelength: 0.8 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No