Information card for entry 7131270

Structure parameters

• Formula: C17 H15 B F2 N2 O2 S
• Calculated formula: C17 H15 B F2 N2 O2 S
• Title of publication: Rotors tailoring molecular stacking for constructing multi-stimuli-responsive luminescent materials.
• Authors of publication: Liu, Zheng-Fei; Zeng, Lan; Niu, Li-Ya; Yang, Qing-Zheng
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2023
• Journal volume: 59
• Journal issue: 17
• Pages of publication: 2453 - 2456
• a: 8.4059 ± 0.0002 Å
• b: 9.797 ± 0.0002 Å
• c: 11.4192 ± 0.0002 Å
• α: 109.969 ± 0.002°
• β: 99.326 ± 0.002°
• γ: 104.781 ± 0.002°
• Cell volume: 821.86 ± 0.04 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100.15 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0273
• Residual factor for significantly intense reflections: 0.0263
• Weighted residual factors for significantly intense reflections: 0.0702
• Weighted residual factors for all reflections included in the refinement: 0.0708
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0921
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No