Information card for entry 7202660

Structure parameters

• Formula: C15 H21 B N2 O2
• Calculated formula: C15 H21 B N2 O2
• SMILES: N#Cc1c(B2OC(C(O2)(C)C)(C)C)cc(N(C)C)cc1
• Title of publication: 4-(N,N-Dimethylamine)benzonitrile (DMABN) derivatives with boronic acid and boronate groups: new fluorescent sensors for saccharides and fluoride ion
• Authors of publication: Tan, Wei; Zhang, Deqing; Wang, Zhuo; Liu, Caiming; Zhu, Daoben
• Journal of publication: Journal of Materials Chemistry
• Year of publication: 2007
• Journal volume: 17
• Journal issue: 19
• Pages of publication: 1964
• a: 7.3178 ± 0.0014 Å
• b: 10.551 ± 0.002 Å
• c: 20.587 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1589.5 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.09
• Residual factor for significantly intense reflections: 0.0701
• Weighted residual factors for significantly intense reflections: 0.157
• Weighted residual factors for all reflections included in the refinement: 0.1682
• Goodness-of-fit parameter for all reflections included in the refinement: 1.094
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No