Information card for entry 2214331

Structure parameters

• Chemical name: Phenothiazine‒picric acid (1/1)
• Formula: C18 H12 N4 O7 S
• Calculated formula: C18 H12 N4 O7 S
• Title of publication: Phenothiazine‒picric acid (1/1)
• Authors of publication: Harrison, William T. A.; Ashok, M. A.; Yathirajan, H. S.; Narayana Achar, B.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 7
• Pages of publication: o3322 - o3322
• a: 7.2723 ± 0.0007 Å
• b: 8.98 ± 0.0009 Å
• c: 27.549 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1799.1 ± 0.3 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.1018
• Residual factor for significantly intense reflections: 0.0466
• Weighted residual factors for significantly intense reflections: 0.0831
• Weighted residual factors for all reflections included in the refinement: 0.0965
• Goodness-of-fit parameter for all reflections included in the refinement: 0.892
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes