Information card for entry 7121892

Structure parameters

• Common name: Pinkment-OH
• Formula: C32 H39 B2 Cl2 N O6
• Calculated formula: C32 H39 B2 Cl2 N O6
• Title of publication: 'AND'-based fluorescence scaffold for the detection of ROS/RNS and a second analyte.
• Authors of publication: Odyniec, Maria L.; Sedgwick, Adam C.; Swan, Alexander H.; Weber, Maria; Tang, T. M. Simon; Gardiner, Jordan E.; Zhang, Miao; Jiang, Yun-Bao; Kociok-Kohn, Gabriele; Elmes, Robert B. P.; Bull, Steven D.; He, Xiao-Peng; James, Tony D.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2018
• Journal volume: 54
• Journal issue: 61
• Pages of publication: 8466 - 8469
• a: 21.0386 ± 0.0006 Å
• b: 12.0671 ± 0.0003 Å
• c: 12.7442 ± 0.0004 Å
• α: 90°
• β: 91.25 ± 0.003°
• γ: 90°
• Cell volume: 3234.66 ± 0.16 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0862
• Residual factor for significantly intense reflections: 0.0652
• Weighted residual factors for significantly intense reflections: 0.1611
• Weighted residual factors for all reflections included in the refinement: 0.1737
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No