Information card for entry 7153407

Structure parameters

• Formula: C41 H44 N4 O4
• Calculated formula: C41 H44 N4 O4
• Title of publication: Rhodamine-based chemosensor for Hg(2+) in aqueous solution with a broad pH range and its application in live cell imaging.
• Authors of publication: Zhao, Yun; Sun, Yue; Lv, Xin; Liu, Yunlong; Chen, Maliang; Guo, Wei
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2010
• Journal volume: 8
• Journal issue: 18
• Pages of publication: 4143 - 4147
• a: 12.014 ± 0.007 Å
• b: 12.413 ± 0.005 Å
• c: 13.062 ± 0.007 Å
• α: 70.46 ± 0.03°
• β: 85.28 ± 0.03°
• γ: 73.53 ± 0.02°
• Cell volume: 1760.3 ± 1.6 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0733
• Residual factor for significantly intense reflections: 0.0516
• Weighted residual factors for significantly intense reflections: 0.1237
• Weighted residual factors for all reflections included in the refinement: 0.1324
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No