Information card for entry 7048118

Structure parameters

• Formula: C18 H30 B20 N2 O
• Calculated formula: C18 H30 B20 N2 O
• Title of publication: Tuning the photophysical properties of carboranyl luminophores by closo- to nido-carborane conversion and application to OFF-ON fluoride sensing.
• Authors of publication: Nghia, Nguyen Van; Oh, Jihun; Sujith, Surendran; Jung, Jaehoon; Lee, Min Hyung
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 48
• Pages of publication: 17441 - 17449
• a: 12.5633 ± 0.0001 Å
• b: 12.0997 ± 0.0001 Å
• c: 18.4978 ± 0.0002 Å
• α: 90°
• β: 97.7708 ± 0.0006°
• γ: 90°
• Cell volume: 2786.07 ± 0.04 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• 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: 0.0706
• Residual factor for significantly intense reflections: 0.0539
• Weighted residual factors for significantly intense reflections: 0.1418
• Weighted residual factors for all reflections included in the refinement: 0.1556
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No