Information card for entry 7109922

Structure parameters

• Formula: C40 H38 N4
• Calculated formula: C39.998 H37.997 N3.9995
• Title of publication: Steric hindrance-enforced distortion as a general strategy for the design of fluorescence 'turn-on' cyanide probes
• Authors of publication: Bin Chen; Yubin Ding; Xin Li; Weihong Zhu; Jonathan P. Hill; Katsuhiko Ariga; Yongshu Xie
• Journal of publication: Chem.Commun.
• Year of publication: 2013
• Journal volume: 49
• Pages of publication: 10136
• a: 25.741 ± 0.002 Å
• b: 12.1212 ± 0.0011 Å
• c: 11.4444 ± 0.0012 Å
• α: 90°
• β: 96.976 ± 0.001°
• γ: 90°
• Cell volume: 3544.4 ± 0.6 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 3
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.1266
• Residual factor for significantly intense reflections: 0.0689
• Weighted residual factors for significantly intense reflections: 0.1742
• Weighted residual factors for all reflections included in the refinement: 0.2103
• Goodness-of-fit parameter for all reflections included in the refinement: 0.917
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No