Information card for entry 1551705

Structure parameters

• Chemical name: Diphenylamine-picric acid(1/2)
• Formula: C24 H15 N7 O14
• Calculated formula: C24 H15 N7 O14
• SMILES: c1(ccccc1)Nc1ccccc1.O=N(=O)c1c(c(cc(c1)N(=O)=O)N(=O)=O)O.c1c(cc(c(c1N(=O)=O)O)N(=O)=O)N(=O)=O
• Title of publication: Cocrystallization of Diphenylamine and Picric acid (1:2)
• Authors of publication: KAPOOR, Kamini; GUPTA, Vivek K.; VELMURUGAN, R.; SEKAR, M.
• Journal of publication: X-ray Structure Analysis Online
• Year of publication: 2012
• Journal volume: 28
• Pages of publication: 31
• a: 25.4238 ± 0.0014 Å
• b: 6.9922 ± 0.0005 Å
• c: 15.1311 ± 0.0008 Å
• α: 90°
• β: 92.335 ± 0.005°
• γ: 90°
• Cell volume: 2687.6 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.1345
• Residual factor for significantly intense reflections: 0.077
• Weighted residual factors for significantly intense reflections: 0.2218
• Weighted residual factors for all reflections included in the refinement: 0.2833
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No