Information card for entry 7707362

Structure parameters

• Formula: C31 H29 B10 N O
• Calculated formula: C31 H29 B10 N O
• Title of publication: A "flexible" carborane-cored luminogen: variable emission behaviours in aggregates.
• Authors of publication: Li, Jiaxin; Xu, Jinkai; Yan, Linbo; Lu, Changsheng; Yan, Hong
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2021
• Journal volume: 50
• Journal issue: 23
• Pages of publication: 8029 - 8035
• a: 8.9184 ± 0.0018 Å
• b: 11.079 ± 0.002 Å
• c: 15.575 ± 0.003 Å
• α: 77.613 ± 0.007°
• β: 73.371 ± 0.009°
• γ: 89.179 ± 0.009°
• Cell volume: 1438.4 ± 0.5 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 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: 0.0658
• Residual factor for significantly intense reflections: 0.0551
• Weighted residual factors for significantly intense reflections: 0.1091
• Weighted residual factors for all reflections included in the refinement: 0.1127
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 1.34139 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No