Information card for entry 1554959

Structure parameters

• Formula: C117 H171 B4 N4 O20
• Calculated formula: C117 H171 B4 N4 O20
• 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: 42.193 ± 0.008 Å
• b: 8.356 ± 0.0017 Å
• c: 15.63 ± 0.003 Å
• α: 90°
• β: 90.76 ± 0.03°
• γ: 90°
• Cell volume: 5510.1 ± 1.9 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0714
• Residual factor for significantly intense reflections: 0.0697
• Weighted residual factors for significantly intense reflections: 0.1964
• Weighted residual factors for all reflections included in the refinement: 0.1988
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.8 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No