Information card for entry 7054435

Structure parameters

• Formula: C48 H42 N12 O21
• Calculated formula: C48 H42 N12 O21
• Title of publication: Charge transfer aided selective sensing and capture of picric acid by triphenylbenzenes
• Authors of publication: Vishnoi, Pratap; Sen, Saumik; Patwari, G. Naresh; Murugavel, Ramaswamy
• Journal of publication: New J. Chem.
• Year of publication: 2015
• Journal volume: 39
• Journal issue: 2
• Pages of publication: 886
• a: 10.766 ± 0.003 Å
• b: 13.96 ± 0.005 Å
• c: 17.294 ± 0.006 Å
• α: 102.357 ± 0.005°
• β: 98.189 ± 0.005°
• γ: 100.935 ± 0.004°
• Cell volume: 2447 ± 1.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0852
• Residual factor for significantly intense reflections: 0.0662
• Weighted residual factors for significantly intense reflections: 0.1486
• Weighted residual factors for all reflections included in the refinement: 0.1631
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No