Information card for entry 7227515

Structure parameters

• Common name: S3
• Formula: C24 H23 N3 O S
• Calculated formula: C24 H23 N3 O S
• SMILES: s1c(/C=C(c2ccc(/N=C/c3c(O)cc(N(CC)CC)cc3)cc2)\C#N)ccc1
• Title of publication: Multi-stimuli-responsive fluorescence of a highly emissive difluoroboron complex in both solution and solid states
• Authors of publication: Fang, Wenyan; Zhang, Yuyang; Zhang, Gaobin; Kong, Lin; Yang, Longmei; Yang, Jiaxiang
• Journal of publication: CrystEngComm
• Year of publication: 2017
• Journal volume: 19
• Journal issue: 9
• Pages of publication: 1294
• a: 26.886 ± 0.003 Å
• b: 10.6027 ± 0.0018 Å
• c: 16.7359 ± 0.0018 Å
• α: 90°
• β: 119.293 ± 0.002°
• γ: 90°
• Cell volume: 4160.8 ± 1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.053
• Residual factor for significantly intense reflections: 0.0396
• Weighted residual factors for significantly intense reflections: 0.1093
• Weighted residual factors for all reflections included in the refinement: 0.1184
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No