Information card for entry 1555708

Structure parameters

• Chemical name: 2-(2,6-Diisopropylphenyl)-2H-benzotriazole
• Formula: C18 H21 N3
• Calculated formula: C18 H21 N3
• Title of publication: Conformationally Distorted π-Conjugation for Reaction-Based Detection of Nickel: Fluorescence Turn-on by Twist-and-Fragment.
• Authors of publication: Kim, Seyong; Jo, Junyong; Lee, Dongwhan
• Journal of publication: Organic letters
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 18
• Pages of publication: 4530 - 4533
• a: 14.58554 ± 0.00008 Å
• b: 8.33918 ± 0.00005 Å
• c: 25.4351 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3093.71 ± 0.03 ų
• Cell temperature: 99.95 ± 0.16 K
• Ambient diffraction temperature: 99.95 ± 0.16 K
• Number of distinct elements: 3
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0324
• Residual factor for significantly intense reflections: 0.032
• Weighted residual factors for significantly intense reflections: 0.0864
• Weighted residual factors for all reflections included in the refinement: 0.087
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No