Information card for entry 7125135

Structure parameters

• Formula: C23 H26 B10
• Calculated formula: C23 H26 B10
• Title of publication: A carborane-triggered metastable charge transfer state leading to spontaneous recovery of mechanochromic luminescence.
• Authors of publication: Tu, Deshuang; Leong, Pakkin; Li, Zhihong; Hu, Rongrong; Shi, Chao; Zhang, Kenneth Yin; Yan, Hong; Zhao, Qiang
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2016
• Journal volume: 52
• Journal issue: 84
• Pages of publication: 12494 - 12497
• a: 7.684 ± 0.003 Å
• b: 23.434 ± 0.007 Å
• c: 12.637 ± 0.004 Å
• α: 90°
• β: 94.433 ± 0.006°
• γ: 90°
• Cell volume: 2268.7 ± 1.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0982
• Residual factor for significantly intense reflections: 0.0496
• Weighted residual factors for significantly intense reflections: 0.1188
• Weighted residual factors for all reflections included in the refinement: 0.1442
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No