Information card for entry 7054434

Structure parameters

• Formula: C30 H33 N3
• Calculated formula: C30 H33 N3
• 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: 13.508 ± 0.009 Å
• b: 24.193 ± 0.016 Å
• c: 7.507 ± 0.005 Å
• α: 90°
• β: 94.864 ± 0.001°
• γ: 90°
• Cell volume: 2444 ± 3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 3
• 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: 0.1581
• Residual factor for significantly intense reflections: 0.1283
• Weighted residual factors for significantly intense reflections: 0.2274
• Weighted residual factors for all reflections included in the refinement: 0.245
• Goodness-of-fit parameter for all reflections included in the refinement: 1.303
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No