Information card for entry 7225340

Structure parameters

• Formula: C34 H34 B Cl2 F2 N3 O6
• Calculated formula: C34 H28 B Cl2 F2 N3 O6
• Title of publication: A near-infrared BODIPY-based fluorescent probe for the detection of hydrogen sulfide in fetal bovine serum and living cells
• Authors of publication: Zhang, Jian; Zhou, Junliang; Dong, Xiaochun; Zheng, Xing; Zhao, Weili
• Journal of publication: RSC Adv.
• Year of publication: 2016
• a: 8.02 ± 0.003 Å
• b: 14.33 ± 0.006 Å
• c: 16.578 ± 0.007 Å
• α: 112.088 ± 0.007°
• β: 101.887 ± 0.007°
• γ: 90.329 ± 0.008°
• Cell volume: 1720.3 ± 1.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0986
• Residual factor for significantly intense reflections: 0.0776
• Weighted residual factors for significantly intense reflections: 0.2087
• Weighted residual factors for all reflections included in the refinement: 0.2285
• Goodness-of-fit parameter for all reflections included in the refinement: 1.169
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No