Information card for entry 7057045

Structure parameters

• Formula: C17 H22 B10 O
• Calculated formula: C17 H22 B10 O
• Title of publication: Dual emission via remote control of molecular rotation of o-carborane in the excited state by the distant substituents in tolane-modified dyads
• Authors of publication: Nishino, Kenta; Uemura, Kyoya; Tanaka, Kazuo; Chujo, Yoshiki
• Journal of publication: New Journal of Chemistry
• Year of publication: 2018
• Journal volume: 42
• Journal issue: 6
• Pages of publication: 4210
• a: 7.0713 ± 0.0012 Å
• b: 10.2615 ± 0.0016 Å
• c: 14.668 ± 0.003 Å
• α: 109.044 ± 0.008°
• β: 93.259 ± 0.007°
• γ: 104.545 ± 0.007°
• Cell volume: 962.6 ± 0.3 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1923
• Residual factor for significantly intense reflections: 0.0939
• Weighted residual factors for significantly intense reflections: 0.1952
• Weighted residual factors for all reflections included in the refinement: 0.2415
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No