Information card for entry 2228663

Structure parameters

• Common name: Orphenadrinium picrate
• Chemical name: <i>N</i>,<i>N</i>-dimethyl-2-[(2-methylphenyl)(phenyl)methoxy]ethanaminium 2,4,6-trinitrophenolate
• Formula: C24 H26 N4 O8
• Calculated formula: C24 H26 N4 O8
• Title of publication: Orphenadrinium picrate
• Authors of publication: Jasinski, Jerry P.; Butcher, Ray J.; Siddaraju, B. P.; Yathirajan, H. S.; Narayana, B.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 1
• Pages of publication: o190 - o191
• a: 9.9434 ± 0.001 Å
• b: 11.2216 ± 0.0008 Å
• c: 11.3523 ± 0.0012 Å
• α: 78.658 ± 0.007°
• β: 76.342 ± 0.009°
• γ: 87.66 ± 0.007°
• Cell volume: 1206.8 ± 0.2 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0778
• Residual factor for significantly intense reflections: 0.0653
• Weighted residual factors for significantly intense reflections: 0.1776
• Weighted residual factors for all reflections included in the refinement: 0.1884
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes