Information card for entry 7240734

Structure parameters

• Common name: triamine picric acid salt, 1:3
• Formula: C24 H31 N13 O23
• Calculated formula: C24 H31 N13 O23
• Title of publication: Design, synthesis and investigations of a series of energetic salts through the variation of amines and concentration of picrate-anion
• Authors of publication: Mathpati, Ramling S.; Dharavath, Srinivas; Kumar, Nikhil; Ghule, Vikas; Paul, Avijit Kumar; TITTAL, RAM KUMAR
• Journal of publication: CrystEngComm
• Year of publication: 2020
• a: 14.1276 ± 0.0006 Å
• b: 10.6978 ± 0.0005 Å
• c: 24.1392 ± 0.0011 Å
• α: 90°
• β: 106.656 ± 0.001°
• γ: 90°
• Cell volume: 3495.2 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0685
• Residual factor for significantly intense reflections: 0.0495
• Weighted residual factors for significantly intense reflections: 0.1475
• Weighted residual factors for all reflections included in the refinement: 0.1682
• Goodness-of-fit parameter for all reflections included in the refinement: 1.124
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No