Information card for entry 1554956

Structure parameters

• Formula: C186 H168 B4 N14 O31
• Calculated formula: C186 H168 B4 N14 O31
• 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: 16.134 ± 0.003 Å
• b: 16.609 ± 0.003 Å
• c: 16.766 ± 0.003 Å
• α: 85.82 ± 0.03°
• β: 65.15 ± 0.03°
• γ: 75.26 ± 0.03°
• Cell volume: 3939.7 ± 1.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.1734
• Residual factor for significantly intense reflections: 0.0878
• Weighted residual factors for significantly intense reflections: 0.2443
• Weighted residual factors for all reflections included in the refinement: 0.2936
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.7 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No