Information card for entry 2213170

Structure parameters

• Chemical name: 1,3,7-Trimethylxanthenium 2,4,6-trinitrophenolate
• Formula: C14 H13 N7 O9
• Calculated formula: C14 H13 N7 O9
• Title of publication: 1,3,7-Trimethylxanthenium 2,4,6-trinitrophenolate
• Authors of publication: A. Chandramohan; D. Gayathri; D. Velmurugan; K. Ravikumar; M. A. Kandaswamy
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 5
• Pages of publication: o2495 - o2496
• a: 8.2996 ± 0.001 Å
• b: 9.0014 ± 0.0011 Å
• c: 23.21 ± 0.003 Å
• α: 90°
• β: 91.474 ± 0.002°
• γ: 90°
• Cell volume: 1733.4 ± 0.4 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0581
• Residual factor for significantly intense reflections: 0.0463
• Weighted residual factors for significantly intense reflections: 0.1287
• Weighted residual factors for all reflections included in the refinement: 0.1396
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes